2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol

C16H25NO2 — CID 172900058

IUPAC2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol
SMILESCOc1cccc(CN2CCC(C(C)(C)O)CC2)c1
InChIInChI=1S/C16H25NO2/c1-16(2,18)14-7-9-17(10-8-14)12-13-5-4-6-15(11-13)19-3/h4-6,11,14,18H,7-10,12H2,1-3H3
InChIKeyNVQSPVVGTFKUAP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.68
Rot. Bonds4

About 2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol

2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol (PubChem CID 172900058) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol
PubChem CID172900058
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol
SMILESCOc1cccc(CN2CCC(C(C)(C)O)CC2)c1
InChIInChI=1S/C16H25NO2/c1-16(2,18)14-7-9-17(10-8-14)12-13-5-4-6-15(11-13)19-3/h4-6,11,14,18H,7-10,12H2,1-3H3
InChIKeyNVQSPVVGTFKUAP-UHFFFAOYSA-N
XLogP2.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
tert-butyl N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]carbamate
CID 155730830
4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]phenol
CID 78833986
4-(1-bromoethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 106838408
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
4-[(3-methoxyphenyl)methyl]thiomorpholine
CID 763908
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol (CID 172900058) is 2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol is COc1cccc(CN2CCC(C(C)(C)O)CC2)c1.
What is the InChIKey of 2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol?
The InChIKey is NVQSPVVGTFKUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2,18)14-7-9-17(10-8-14)12-13-5-4-6-15(11-13)19-3/h4-6,11,14,18H,7-10,12H2,1-3H3.
What are the key properties of 2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol?
2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 172900058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).