[1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol

C16H26N2O — CID 112677818

IUPAC[1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol
SMILESCCC(NC)c1ccccc1N1CCC(CO)CC1
InChIInChI=1S/C16H26N2O/c1-3-15(17-2)14-6-4-5-7-16(14)18-10-8-13(12-19)9-11-18/h4-7,13,15,17,19H,3,8-12H2,1-2H3
InChIKeyLNGOIRRBVFGZIT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.57
Rot. Bonds5

About [1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol

[1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol (PubChem CID 112677818) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol
PubChem CID112677818
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol
SMILESCCC(NC)c1ccccc1N1CCC(CO)CC1
InChIInChI=1S/C16H26N2O/c1-3-15(17-2)14-6-4-5-7-16(14)18-10-8-13(12-19)9-11-18/h4-7,13,15,17,19H,3,8-12H2,1-2H3
InChIKeyLNGOIRRBVFGZIT-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 43284506
1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine
CID 112678178
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
CID 115995201
1-[1-[2-[1-(ethylamino)propyl]phenyl]piperidin-4-yl]ethanol
CID 106836305
[1-(2-ethylphenyl)piperidin-4-yl]methanol
CID 117027933
N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 112677727
[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]methanol
CID 53215506
2-[4-(hydroxymethyl)piperidin-1-yl]phenol
CID 71530927
1-[1-[2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]ethanol
CID 106836301
(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 103942831
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine
CID 102726801
1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
CID 112677835

Frequently Asked Questions

What is the IUPAC name of [1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol (CID 112677818) is [1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol is CCC(NC)c1ccccc1N1CCC(CO)CC1.
What is the InChIKey of [1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol?
The InChIKey is LNGOIRRBVFGZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-15(17-2)14-6-4-5-7-16(14)18-10-8-13(12-19)9-11-18/h4-7,13,15,17,19H,3,8-12H2,1-2H3.
What are the key properties of [1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol?
[1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol has a molecular weight of 262.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 112677818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).