1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol

C16H27N3O — CID 106835579

IUPAC1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol
SMILESCCC(N)C(c1ccncc1)N1CCC(C(C)O)CC1
InChIInChI=1S/C16H27N3O/c1-3-15(17)16(14-4-8-18-9-5-14)19-10-6-13(7-11-19)12(2)20/h4-5,8-9,12-13,15-16,20H,3,6-7,10-11,17H2,1-2H3
InChIKeyGGQTXDKWMQXDKD-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.95
Rot. Bonds5

About 1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol

1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol (PubChem CID 106835579) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol
PubChem CID106835579
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol
SMILESCCC(N)C(c1ccncc1)N1CCC(C(C)O)CC1
InChIInChI=1S/C16H27N3O/c1-3-15(17)16(14-4-8-18-9-5-14)19-10-6-13(7-11-19)12(2)20/h4-5,8-9,12-13,15-16,20H,3,6-7,10-11,17H2,1-2H3
InChIKeyGGQTXDKWMQXDKD-UHFFFAOYSA-N
XLogP1.95
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol
CID 106835544
1-(4-propylpiperidin-1-yl)-1-pyridin-4-ylbutan-2-amine
CID 62200154
1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol
CID 115964975
[4-(2-amino-1-pyridin-4-ylbutyl)morpholin-2-yl]methanol
CID 81205938
1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505245
1-(1,4-oxazepan-4-yl)-1-pyridin-4-ylbutan-2-amine
CID 62988625
1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol
CID 106835504
[4-(2-amino-1-pyridin-4-ylbutyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776411
1-[1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidin-3-yl]ethanol
CID 115964938
1-(2-ethylazepan-1-yl)-1-pyridin-4-ylbutan-2-amine
CID 104689043
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-pyridin-4-ylbutan-2-amine
CID 63015120
1-(4,4-dimethylpiperidin-1-yl)-1-pyridin-4-ylpropan-2-amine
CID 62935813

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol (CID 106835579) is 1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol is CCC(N)C(c1ccncc1)N1CCC(C(C)O)CC1.
What is the InChIKey of 1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol?
The InChIKey is GGQTXDKWMQXDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-15(17)16(14-4-8-18-9-5-14)19-10-6-13(7-11-19)12(2)20/h4-5,8-9,12-13,15-16,20H,3,6-7,10-11,17H2,1-2H3.
What are the key properties of 1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol?
1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol has a molecular weight of 277.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 106835579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).