(2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol

C17H29N3O — CID 95318062

IUPAC(2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCC(CN(C)CCc2ccncc2)CC1
InChIInChI=1S/C17H29N3O/c1-15(21)13-20-11-6-17(7-12-20)14-19(2)10-5-16-3-8-18-9-4-16/h3-4,8-9,15,17,21H,5-7,10-14H2,1-2H3/t15-/m1/s1
InChIKeyWYXCTYJXFGKXJT-OAHLLOKOSA-N
MW291.44 g/mol
LogP1.65
Rot. Bonds7

About (2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol

(2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 95318062) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is (2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID95318062
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name(2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCC(CN(C)CCc2ccncc2)CC1
InChIInChI=1S/C17H29N3O/c1-15(21)13-20-11-6-17(7-12-20)14-19(2)10-5-16-3-8-18-9-4-16/h3-4,8-9,15,17,21H,5-7,10-14H2,1-2H3/t15-/m1/s1
InChIKeyWYXCTYJXFGKXJT-OAHLLOKOSA-N
XLogP1.65
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

N-methyl-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]butan-1-amine
CID 78899315
3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide
CID 95314387
(2R)-1-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95339517
4-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]butanenitrile
CID 95339513
4-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]methyl]benzonitrile
CID 95313414
(2R)-1-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 95314347
(2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 100840896
1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 86895118
1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 71925951
(2R)-1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 97087148
2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclohexan-1-ol
CID 62609026
3-[[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]methyl]benzonitrile
CID 95344064

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol (CID 95318062) is (2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol is C[C@@H](O)CN1CCC(CN(C)CCc2ccncc2)CC1.
What is the InChIKey of (2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is WYXCTYJXFGKXJT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29N3O/c1-15(21)13-20-11-6-17(7-12-20)14-19(2)10-5-16-3-8-18-9-4-16/h3-4,8-9,15,17,21H,5-7,10-14H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol?
(2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 95318062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).