N-[[4-[(4-butylphenyl)methoxy]phenyl]methyl]piperidin-4-amine

C23H32N2O — CID 135174811

IUPACN-[[4-[(4-butylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
SMILESCCCCc1ccc(COc2ccc(CNC3CCNCC3)cc2)cc1
InChIInChI=1S/C23H32N2O/c1-2-3-4-19-5-7-21(8-6-19)18-26-23-11-9-20(10-12-23)17-25-22-13-15-24-16-14-22/h5-12,22,24-25H,2-4,13-18H2,1H3
InChIKeyDKNTWLDKTPQWMQ-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.45
Rot. Bonds9

About N-[[4-[(4-butylphenyl)methoxy]phenyl]methyl]piperidin-4-amine

N-[[4-[(4-butylphenyl)methoxy]phenyl]methyl]piperidin-4-amine (PubChem CID 135174811) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is N-[[4-[(4-butylphenyl)methoxy]phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[[4-[(4-butylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
PubChem CID135174811
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC NameN-[[4-[(4-butylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
SMILESCCCCc1ccc(COc2ccc(CNC3CCNCC3)cc2)cc1
InChIInChI=1S/C23H32N2O/c1-2-3-4-19-5-7-21(8-6-19)18-26-23-11-9-20(10-12-23)17-25-22-13-15-24-16-14-22/h5-12,22,24-25H,2-4,13-18H2,1H3
InChIKeyDKNTWLDKTPQWMQ-UHFFFAOYSA-N
XLogP4.45
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-butylphenyl)methyl]cyclobutanamine
CID 98783334
N-[(4-butylphenyl)methyl]cyclohexanamine
CID 70837938
N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 53255554
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62450351
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
4-[2-(4-butylphenoxy)ethyl]piperidine
CID 115492732
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086
N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
N-[2-(4-butylphenoxy)ethyl]cycloheptanamine
CID 115493422
4-[(4-butylphenoxy)methyl]aniline
CID 115492301

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-butylphenyl)methoxy]phenyl]methyl]piperidin-4-amine?
The IUPAC name of N-[[4-[(4-butylphenyl)methoxy]phenyl]methyl]piperidin-4-amine (CID 135174811) is N-[[4-[(4-butylphenyl)methoxy]phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for N-[[4-[(4-butylphenyl)methoxy]phenyl]methyl]piperidin-4-amine?
The canonical SMILES for N-[[4-[(4-butylphenyl)methoxy]phenyl]methyl]piperidin-4-amine is CCCCc1ccc(COc2ccc(CNC3CCNCC3)cc2)cc1.
What is the InChIKey of N-[[4-[(4-butylphenyl)methoxy]phenyl]methyl]piperidin-4-amine?
The InChIKey is DKNTWLDKTPQWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-2-3-4-19-5-7-21(8-6-19)18-26-23-11-9-20(10-12-23)17-25-22-13-15-24-16-14-22/h5-12,22,24-25H,2-4,13-18H2,1H3.
What are the key properties of N-[[4-[(4-butylphenyl)methoxy]phenyl]methyl]piperidin-4-amine?
N-[[4-[(4-butylphenyl)methoxy]phenyl]methyl]piperidin-4-amine has a molecular weight of 352.52 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-butylphenyl)methoxy]phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 135174811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).