4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol

C17H27NO2 — CID 110931792

IUPAC4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol
SMILESCOc1ccc(CC2CCN(CCCCO)CC2)cc1
InChIInChI=1S/C17H27NO2/c1-20-17-6-4-15(5-7-17)14-16-8-11-18(12-9-16)10-2-3-13-19/h4-7,16,19H,2-3,8-14H2,1H3
InChIKeyDOHWAFDYYMXEBB-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.72
Rot. Bonds7

About 4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol

4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol (PubChem CID 110931792) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol
PubChem CID110931792
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol
SMILESCOc1ccc(CC2CCN(CCCCO)CC2)cc1
InChIInChI=1S/C17H27NO2/c1-20-17-6-4-15(5-7-17)14-16-8-11-18(12-9-16)10-2-3-13-19/h4-7,16,19H,2-3,8-14H2,1H3
InChIKeyDOHWAFDYYMXEBB-UHFFFAOYSA-N
XLogP2.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-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

1-hydroxy-4-[(4-methoxyphenyl)methyl]piperidine
CID 122445485
methyl 5-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]pentanoate
CID 166613684
N-carbamoyl-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide
CID 47091691
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981397
4-[[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 166620619
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 10562587
[2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate
CID 46086832
1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride
CID 23294491
2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide
CID 47091693
2-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]ethylcarbamic acid
CID 68849802
3-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 166615472

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol?
The IUPAC name of 4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol (CID 110931792) is 4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol?
The canonical SMILES for 4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol is COc1ccc(CC2CCN(CCCCO)CC2)cc1.
What is the InChIKey of 4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol?
The InChIKey is DOHWAFDYYMXEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-20-17-6-4-15(5-7-17)14-16-8-11-18(12-9-16)10-2-3-13-19/h4-7,16,19H,2-3,8-14H2,1H3.
What are the key properties of 4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol?
4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol is sourced from PubChem (CID 110931792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).