2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol

C16H27N3O — CID 107228095

IUPAC2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol
SMILESCCCNCc1ccc(N2CCCC(CCO)C2)nc1
InChIInChI=1S/C16H27N3O/c1-2-8-17-11-15-5-6-16(18-12-15)19-9-3-4-14(13-19)7-10-20/h5-6,12,14,17,20H,2-4,7-11,13H2,1H3
InChIKeyDQAMMSJBTUHFEG-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.18
Rot. Bonds7

About 2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol

2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol (PubChem CID 107228095) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol
PubChem CID107228095
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol
SMILESCCCNCc1ccc(N2CCCC(CCO)C2)nc1
InChIInChI=1S/C16H27N3O/c1-2-8-17-11-15-5-6-16(18-12-15)19-9-3-4-14(13-19)7-10-20/h5-6,12,14,17,20H,2-4,7-11,13H2,1H3
InChIKeyDQAMMSJBTUHFEG-UHFFFAOYSA-N
XLogP2.18
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[5-(ethylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228184
2-[4-[5-(propylaminomethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanol
CID 107223707
[1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-yl]methanol
CID 80629932
[6-(3-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61256877
N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 62286973
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55054608
2-[1-[5-[1-(methylamino)ethyl]-2-pyridinyl]piperidin-3-yl]ethanol
CID 107227771
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 107227673
4-methyl-1-[5-(propylaminomethyl)-2-pyridinyl]azepan-4-ol
CID 107405494
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 114412489
2-[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol
CID 107228099
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 78999071

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol (CID 107228095) is 2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol is CCCNCc1ccc(N2CCCC(CCO)C2)nc1.
What is the InChIKey of 2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol?
The InChIKey is DQAMMSJBTUHFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-2-8-17-11-15-5-6-16(18-12-15)19-9-3-4-14(13-19)7-10-20/h5-6,12,14,17,20H,2-4,7-11,13H2,1H3.
What are the key properties of 2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol?
2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol has a molecular weight of 277.41 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107228095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).