4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol

C16H26N2O — CID 61212712

IUPAC4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NC1CCCN(C)C1
InChIInChI=1S/C16H26N2O/c1-13(17-15-4-3-11-18(2)12-15)5-6-14-7-9-16(19)10-8-14/h7-10,13,15,17,19H,3-6,11-12H2,1-2H3
InChIKeyWSZJQIXPEGMFQZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.40
Rot. Bonds5

About 4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol

4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol (PubChem CID 61212712) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol
PubChem CID61212712
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NC1CCCN(C)C1
InChIInChI=1S/C16H26N2O/c1-13(17-15-4-3-11-18(2)12-15)5-6-14-7-9-16(19)10-8-14/h7-10,13,15,17,19H,3-6,11-12H2,1-2H3
InChIKeyWSZJQIXPEGMFQZ-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine
CID 61210453
4-[3-[(1-ethylazepan-4-yl)amino]butyl]phenol
CID 65073310
1-methyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 61461386
4-[3-[(3-methylcyclohexyl)amino]butyl]phenol
CID 43317708
N-butan-2-yl-1-methylpiperidin-3-amine
CID 61211214
N-[1-(4-methoxyphenyl)propan-2-yl]-1-methylpiperidin-3-amine
CID 61210662
(4aS,8aR)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 100893934
4-[(3S)-3-[(4-methylpiperazin-1-yl)amino]butyl]phenol
CID 7445985
4-[2-(cyclobutylamino)propyl]phenol
CID 115494316
4-[(3R)-3-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]butyl]phenol
CID 99639382
4-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]butyl]phenol
CID 79358775
N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol?
The IUPAC name of 4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol (CID 61212712) is 4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol.
What is the SMILES notation for 4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol?
The canonical SMILES for 4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol is CC(CCc1ccc(O)cc1)NC1CCCN(C)C1.
What is the InChIKey of 4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol?
The InChIKey is WSZJQIXPEGMFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(17-15-4-3-11-18(2)12-15)5-6-14-7-9-16(19)10-8-14/h7-10,13,15,17,19H,3-6,11-12H2,1-2H3.
What are the key properties of 4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol?
4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol is sourced from PubChem (CID 61212712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).