(3S,4S)-4-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-ol

C20H31FN2O — CID 50982659

IUPAC(3S,4S)-4-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-ol
SMILESCC1(C)CC(N2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)CC(C)(C)N1
InChIInChI=1S/C20H31FN2O/c1-19(2)11-16(12-20(3,4)22-19)23-10-9-17(18(24)13-23)14-5-7-15(21)8-6-14/h5-8,16-18,22,24H,9-13H2,1-4H3/t17-,18+/m0/s1
InChIKeyVZOPYUQAZWJULF-ZWKOTPCHSA-N
MW334.48 g/mol
LogP3.29
Rot. Bonds2

About (3S,4S)-4-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-ol

(3S,4S)-4-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-ol (PubChem CID 50982659) has the molecular formula C20H31FN2O and a molecular weight of 334.48 g/mol. Its IUPAC name is (3S,4S)-4-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-ol
PubChem CID50982659
Molecular FormulaC20H31FN2O
Molecular Weight334.48 g/mol
Exact Mass334.24
IUPAC Name(3S,4S)-4-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-ol
SMILESCC1(C)CC(N2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)CC(C)(C)N1
InChIInChI=1S/C20H31FN2O/c1-19(2)11-16(12-20(3,4)22-19)23-10-9-17(18(24)13-23)14-5-7-15(21)8-6-14/h5-8,16-18,22,24H,9-13H2,1-4H3/t17-,18+/m0/s1
InChIKeyVZOPYUQAZWJULF-ZWKOTPCHSA-N
XLogP3.29
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-ol?
The IUPAC name of (3S,4S)-4-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-ol (CID 50982659) is (3S,4S)-4-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-ol is CC1(C)CC(N2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)CC(C)(C)N1.
What is the InChIKey of (3S,4S)-4-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-ol?
The InChIKey is VZOPYUQAZWJULF-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H31FN2O/c1-19(2)11-16(12-20(3,4)22-19)23-10-9-17(18(24)13-23)14-5-7-15(21)8-6-14/h5-8,16-18,22,24H,9-13H2,1-4H3/t17-,18+/m0/s1.
What are the key properties of (3S,4S)-4-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-ol?
(3S,4S)-4-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-ol has a molecular weight of 334.48 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-ol is sourced from PubChem (CID 50982659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).