3-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]pentan-1-ol

C16H27N3O — CID 106172761

IUPAC3-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]pentan-1-ol
SMILESCCC(C)(CCO)NC1CCN(c2ccncc2)CC1
InChIInChI=1S/C16H27N3O/c1-3-16(2,8-13-20)18-14-6-11-19(12-7-14)15-4-9-17-10-5-15/h4-5,9-10,14,18,20H,3,6-8,11-13H2,1-2H3
InChIKeyXOTDCQZSPQQDAP-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.19
Rot. Bonds6

About 3-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]pentan-1-ol

3-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]pentan-1-ol (PubChem CID 106172761) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]pentan-1-ol
PubChem CID106172761
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]pentan-1-ol
SMILESCCC(C)(CCO)NC1CCN(c2ccncc2)CC1
InChIInChI=1S/C16H27N3O/c1-3-16(2,8-13-20)18-14-6-11-19(12-7-14)15-4-9-17-10-5-15/h4-5,9-10,14,18,20H,3,6-8,11-13H2,1-2H3
InChIKeyXOTDCQZSPQQDAP-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(((Pyridin-4-yl)methyl)amino)propan-1-ol
CID 248486
2-[1-Isopropyl-4-(4-pyridinylmethyl)-2-piperazinyl]ethanol
CID 16187304
2-[1-(2,2-Dimethylpropyl)-4-(3-pyridinylmethyl)-2-piperazinyl]ethanol
CID 23723941
[1-(Pyridin-4-yl)piperidin-4-yl]methanamine
CID 10607746
Methyl((2-(1-(pyridin-4-yl)piperidin-4-yl)ethyl))amine
CID 59597773
N-ethyl-1-(pyridin-4-yl)piperidin-4-amine
CID 43166642
2-[1-(3-Methyl-2-buten-1-yl)-4-(3-pyridinylmethyl)-2-piperazinyl]ethanol
CID 16192239
2-[1-Cyclopentyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
CID 16191614
1-(Pyridin-4-yl)piperidin-4-ol
CID 23447619
(2R)-2-(pyridin-4-ylmethylamino)butan-1-ol
CID 961331
1-(1-Hydroxy-4,4-dimethylpentan-3-yl)-3-pyridin-4-ylurea
CID 47076624
1-[4-[[(2-Methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 53555329

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]pentan-1-ol?
The IUPAC name of 3-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]pentan-1-ol (CID 106172761) is 3-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 3-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 3-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]pentan-1-ol is CCC(C)(CCO)NC1CCN(c2ccncc2)CC1.
What is the InChIKey of 3-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]pentan-1-ol?
The InChIKey is XOTDCQZSPQQDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-16(2,8-13-20)18-14-6-11-19(12-7-14)15-4-9-17-10-5-15/h4-5,9-10,14,18,20H,3,6-8,11-13H2,1-2H3.
What are the key properties of 3-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]pentan-1-ol?
3-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]pentan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 106172761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).