3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;bis((3R,6R)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol);(3S,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;5-[(4S)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine;5-[(4R)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine

C105H164F4N14O5 — CID 161113548

IUPAC3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;bis((3R,6R)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol);(3S,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;5-[(4S)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine;5-[(4R)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine
SMILESCC(C)c1ccc(N2CC(C)(O)CCC2C)cn1.CC(C)c1ccc(N2C[C@@](C)(O)CC[C@@H]2C)cn1.CC(C)c1ccc(N2C[C@](C)(O)CC[C@@H]2C)cn1.CC(C)c1ccc(N2C[C@](C)(O)CC[C@H]2C)cn1.CC(C)c1ccc(N2C[C@](C)(O)CC[C@H]2C)cn1.CC[C@@H]1CCN(c2ccc(C(C)C)nc2)CC1(F)F.CC[C@H]1CCN(c2ccc(C(C)C)nc2)CC1(F)F
InChIInChI=1S/2C15H22F2N2.5C15H24N2O/c2*1-4-12-7-8-19(10-15(12,16)17)13-5-6-14(11(2)3)18-9-13;5*1-11(2)14-6-5-13(9-16-14)17-10-15(4,18)8-7-12(17)3/h2*5-6,9,11-12H,4,7-8,10H2,1-3H3;5*5-6,9,11-12,18H,7-8,10H2,1-4H3/t2*12-;12-,15+;3*12-,15-;/m100110./s1
InChIKeyUJZZQNYBAJFJQV-NDQIVKGJSA-N
MW1778.55 g/mol
LogP22.88
Rot. Bonds16

About 3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;bis((3R,6R)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol);(3S,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;5-[(4S)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine;5-[(4R)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine

3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;bis((3R,6R)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol);(3S,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;5-[(4S)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine;5-[(4R)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine (PubChem CID 161113548) has the molecular formula C105H164F4N14O5 and a molecular weight of 1778.55 g/mol. Its IUPAC name is 3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;bis((3R,6R)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol);(3S,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;5-[(4S)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine;5-[(4R)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine.

Molecular Properties

Compound Name3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;bis((3R,6R)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol);(3S,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;5-[(4S)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine;5-[(4R)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine
PubChem CID161113548
Molecular FormulaC105H164F4N14O5
Molecular Weight1778.55 g/mol
Exact Mass1777.29
IUPAC Name3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;bis((3R,6R)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol);(3S,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;5-[(4S)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine;5-[(4R)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine
SMILESCC(C)c1ccc(N2CC(C)(O)CCC2C)cn1.CC(C)c1ccc(N2C[C@@](C)(O)CC[C@@H]2C)cn1.CC(C)c1ccc(N2C[C@](C)(O)CC[C@@H]2C)cn1.CC(C)c1ccc(N2C[C@](C)(O)CC[C@H]2C)cn1.CC(C)c1ccc(N2C[C@](C)(O)CC[C@H]2C)cn1.CC[C@@H]1CCN(c2ccc(C(C)C)nc2)CC1(F)F.CC[C@H]1CCN(c2ccc(C(C)C)nc2)CC1(F)F
InChIInChI=1S/2C15H22F2N2.5C15H24N2O/c2*1-4-12-7-8-19(10-15(12,16)17)13-5-6-14(11(2)3)18-9-13;5*1-11(2)14-6-5-13(9-16-14)17-10-15(4,18)8-7-12(17)3/h2*5-6,9,11-12H,4,7-8,10H2,1-3H3;5*5-6,9,11-12,18H,7-8,10H2,1-4H3/t2*12-;12-,15+;3*12-,15-;/m100110./s1
InChIKeyUJZZQNYBAJFJQV-NDQIVKGJSA-N
XLogP22.88
TPSA214.06 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001778.55
LogP ≤ 522.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;bis((3R,6R)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol);(3S,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;5-[(4S)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine;5-[(4R)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;bis((3R,6R)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol);(3S,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;5-[(4S)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine;5-[(4R)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine?
The IUPAC name of 3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;bis((3R,6R)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol);(3S,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;5-[(4S)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine;5-[(4R)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine (CID 161113548) is 3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;bis((3R,6R)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol);(3S,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;5-[(4S)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine;5-[(4R)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine.
What is the SMILES notation for 3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;bis((3R,6R)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol);(3S,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;5-[(4S)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine;5-[(4R)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine?
The canonical SMILES for 3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;bis((3R,6R)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol);(3S,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;5-[(4S)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine;5-[(4R)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine is CC(C)c1ccc(N2CC(C)(O)CCC2C)cn1.CC(C)c1ccc(N2C[C@@](C)(O)CC[C@@H]2C)cn1.CC(C)c1ccc(N2C[C@](C)(O)CC[C@@H]2C)cn1.CC(C)c1ccc(N2C[C@](C)(O)CC[C@H]2C)cn1.CC(C)c1ccc(N2C[C@](C)(O)CC[C@H]2C)cn1.CC[C@@H]1CCN(c2ccc(C(C)C)nc2)CC1(F)F.CC[C@H]1CCN(c2ccc(C(C)C)nc2)CC1(F)F.
What is the InChIKey of 3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;bis((3R,6R)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol);(3S,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;5-[(4S)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine;5-[(4R)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine?
The InChIKey is UJZZQNYBAJFJQV-NDQIVKGJSA-N. The full InChI is InChI=1S/2C15H22F2N2.5C15H24N2O/c2*1-4-12-7-8-19(10-15(12,16)17)13-5-6-14(11(2)3)18-9-13;5*1-11(2)14-6-5-13(9-16-14)17-10-15(4,18)8-7-12(17)3/h2*5-6,9,11-12H,4,7-8,10H2,1-3H3;5*5-6,9,11-12,18H,7-8,10H2,1-4H3/t2*12-;12-,15+;3*12-,15-;/m100110./s1.
What are the key properties of 3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;bis((3R,6R)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol);(3S,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;5-[(4S)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine;5-[(4R)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine?
3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;bis((3R,6R)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol);(3S,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;5-[(4S)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine;5-[(4R)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine has a molecular weight of 1778.55 g/mol, XLogP of 22.88, 16 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;bis((3R,6R)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol);(3S,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R,6S)-3,6-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;5-[(4S)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine;5-[(4R)-4-ethyl-3,3-difluoropiperidin-1-yl]-2-propan-2-ylpyridine is sourced from PubChem (CID 161113548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).