(2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol

C16H27N3O — CID 95274150

IUPAC(2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESCc1ncccc1CNCC1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C16H27N3O/c1-13(20)12-19-8-5-15(6-9-19)10-17-11-16-4-3-7-18-14(16)2/h3-4,7,13,15,17,20H,5-6,8-12H2,1-2H3/t13-/m1/s1
InChIKeyFRVKGOXYZXVOPL-CYBMUJFWSA-N
MW277.41 g/mol
LogP1.57
Rot. Bonds6

About (2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol

(2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 95274150) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is (2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID95274150
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name(2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESCc1ncccc1CNCC1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C16H27N3O/c1-13(20)12-19-8-5-15(6-9-19)10-17-11-16-4-3-7-18-14(16)2/h3-4,7,13,15,17,20H,5-6,8-12H2,1-2H3/t13-/m1/s1
InChIKeyFRVKGOXYZXVOPL-CYBMUJFWSA-N
XLogP1.57
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

(1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95751286
(2S)-1-[4-[[(2-ethoxyphenyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95273065
1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 111110859
(2S)-1-[4-[(1,3-benzodioxol-4-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 95275018
(2R)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95335411
(2S)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95335410
(2S)-1-[4-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274206
(2S)-1-[4-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95272346
(2S)-1-[4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274104
2-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]methyl]-6-methylpyridin-3-ol
CID 95273059
N-[(2-methyl-3-pyridinyl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
CID 129005157
(2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274120

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol (CID 95274150) is (2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol is Cc1ncccc1CNCC1CCN(C[C@@H](C)O)CC1.
What is the InChIKey of (2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is FRVKGOXYZXVOPL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(20)12-19-8-5-15(6-9-19)10-17-11-16-4-3-7-18-14(16)2/h3-4,7,13,15,17,20H,5-6,8-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
(2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 95274150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).