1-[(4-butoxyphenyl)methyl]piperidin-4-ol

C16H25NO2 — CID 2055522

IUPAC1-[(4-butoxyphenyl)methyl]piperidin-4-ol
SMILESCCCCOc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C16H25NO2/c1-2-3-12-19-16-6-4-14(5-7-16)13-17-10-8-15(18)9-11-17/h4-7,15,18H,2-3,8-13H2,1H3
InChIKeyMJAKFSZMIISTDI-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.82
Rot. Bonds6

About 1-[(4-butoxyphenyl)methyl]piperidin-4-ol

1-[(4-butoxyphenyl)methyl]piperidin-4-ol (PubChem CID 2055522) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[(4-butoxyphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(4-butoxyphenyl)methyl]piperidin-4-ol
PubChem CID2055522
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[(4-butoxyphenyl)methyl]piperidin-4-ol
SMILESCCCCOc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C16H25NO2/c1-2-3-12-19-16-6-4-14(5-7-16)13-17-10-8-15(18)9-11-17/h4-7,15,18H,2-3,8-13H2,1H3
InChIKeyMJAKFSZMIISTDI-UHFFFAOYSA-N
XLogP2.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bephenium
CID 19667
1-(3-(4-(1-Piperidinylmethyl)phenoxy)propyl)piperidine
CID 2766326
1-(4-Methoxybenzyl)azepane
CID 763595
1-(3-(4-(2-Fluoroethyl)phenoxy)propyl)piperidine
CID 44592097
1-Benzyl-4-(4-methoxybenzyl)piperazine
CID 762919
Dimethyl-[4-(3-piperidin-1-yl-propoxy)-benzyl]-amine
CID 9835304
N-methyl-N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]butan-1-amine
CID 9836681
4-(4-((1-Isopropylpiperidin-4-yl)oxy)benzyl)morpholine
CID 9858195
N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 9879041
1-Propan-2-yl-4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidine
CID 9879473
4-[[4-(3-Piperidin-1-ylpropoxy)phenyl]methyl]morpholine
CID 9880039
N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]cyclohexanamine
CID 9880608

Frequently Asked Questions

What is the IUPAC name of 1-[(4-butoxyphenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(4-butoxyphenyl)methyl]piperidin-4-ol (CID 2055522) is 1-[(4-butoxyphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(4-butoxyphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(4-butoxyphenyl)methyl]piperidin-4-ol is CCCCOc1ccc(CN2CCC(O)CC2)cc1.
What is the InChIKey of 1-[(4-butoxyphenyl)methyl]piperidin-4-ol?
The InChIKey is MJAKFSZMIISTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-3-12-19-16-6-4-14(5-7-16)13-17-10-8-15(18)9-11-17/h4-7,15,18H,2-3,8-13H2,1H3.
What are the key properties of 1-[(4-butoxyphenyl)methyl]piperidin-4-ol?
1-[(4-butoxyphenyl)methyl]piperidin-4-ol has a molecular weight of 263.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butoxyphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 2055522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).