2-[3-[[methyl-[(2-methyl-3-pyridinyl)methyl]amino]methyl]piperidin-1-yl]ethanol

C16H27N3O — CID 134712578

IUPAC2-[3-[[methyl-[(2-methyl-3-pyridinyl)methyl]amino]methyl]piperidin-1-yl]ethanol
SMILESCc1ncccc1CN(C)CC1CCCN(CCO)C1
InChIInChI=1S/C16H27N3O/c1-14-16(6-3-7-17-14)13-18(2)11-15-5-4-8-19(12-15)9-10-20/h3,6-7,15,20H,4-5,8-13H2,1-2H3
InChIKeyXJAYMIQEUXRRMP-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.53
Rot. Bonds6

About 2-[3-[[methyl-[(2-methyl-3-pyridinyl)methyl]amino]methyl]piperidin-1-yl]ethanol

2-[3-[[methyl-[(2-methyl-3-pyridinyl)methyl]amino]methyl]piperidin-1-yl]ethanol (PubChem CID 134712578) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[3-[[methyl-[(2-methyl-3-pyridinyl)methyl]amino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[[methyl-[(2-methyl-3-pyridinyl)methyl]amino]methyl]piperidin-1-yl]ethanol
PubChem CID134712578
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[3-[[methyl-[(2-methyl-3-pyridinyl)methyl]amino]methyl]piperidin-1-yl]ethanol
SMILESCc1ncccc1CN(C)CC1CCCN(CCO)C1
InChIInChI=1S/C16H27N3O/c1-14-16(6-3-7-17-14)13-18(2)11-15-5-4-8-19(12-15)9-10-20/h3,6-7,15,20H,4-5,8-13H2,1-2H3
InChIKeyXJAYMIQEUXRRMP-UHFFFAOYSA-N
XLogP1.53
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methyl-N-[(2-methyl-3-pyridinyl)methyl]methanamine
CID 134696870
2-[(3R)-3-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol
CID 95143050
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-(quinolin-8-ylmethyl)methanamine
CID 45168179
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554122
1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(4-pyrimidin-2-yloxyphenyl)methyl]methanamine
CID 42383723
2-methoxy-6-[[methyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol
CID 45244943
1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 42522169
2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554163
N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 23723586
1-[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
CID 97281987
N-methyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-2-pyridin-2-ylacetamide
CID 42292864
2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 62470433

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[methyl-[(2-methyl-3-pyridinyl)methyl]amino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-[[methyl-[(2-methyl-3-pyridinyl)methyl]amino]methyl]piperidin-1-yl]ethanol (CID 134712578) is 2-[3-[[methyl-[(2-methyl-3-pyridinyl)methyl]amino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[[methyl-[(2-methyl-3-pyridinyl)methyl]amino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[[methyl-[(2-methyl-3-pyridinyl)methyl]amino]methyl]piperidin-1-yl]ethanol is Cc1ncccc1CN(C)CC1CCCN(CCO)C1.
What is the InChIKey of 2-[3-[[methyl-[(2-methyl-3-pyridinyl)methyl]amino]methyl]piperidin-1-yl]ethanol?
The InChIKey is XJAYMIQEUXRRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-14-16(6-3-7-17-14)13-18(2)11-15-5-4-8-19(12-15)9-10-20/h3,6-7,15,20H,4-5,8-13H2,1-2H3.
What are the key properties of 2-[3-[[methyl-[(2-methyl-3-pyridinyl)methyl]amino]methyl]piperidin-1-yl]ethanol?
2-[3-[[methyl-[(2-methyl-3-pyridinyl)methyl]amino]methyl]piperidin-1-yl]ethanol has a molecular weight of 277.41 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[methyl-[(2-methyl-3-pyridinyl)methyl]amino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 134712578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).