N-[(4-butoxyphenyl)methyl]-1-tert-butyl-N-methylpiperidin-4-amine

C21H36N2O — CID 118531507

IUPACN-[(4-butoxyphenyl)methyl]-1-tert-butyl-N-methylpiperidin-4-amine
SMILESCCCCOc1ccc(CN(C)C2CCN(C(C)(C)C)CC2)cc1
InChIInChI=1S/C21H36N2O/c1-6-7-16-24-20-10-8-18(9-11-20)17-22(5)19-12-14-23(15-13-19)21(2,3)4/h8-11,19H,6-7,12-17H2,1-5H3
InChIKeyWOCDFFWHXARYKR-UHFFFAOYSA-N
MW332.53 g/mol
LogP4.56
Rot. Bonds7

About N-[(4-butoxyphenyl)methyl]-1-tert-butyl-N-methylpiperidin-4-amine

N-[(4-butoxyphenyl)methyl]-1-tert-butyl-N-methylpiperidin-4-amine (PubChem CID 118531507) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is N-[(4-butoxyphenyl)methyl]-1-tert-butyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-butoxyphenyl)methyl]-1-tert-butyl-N-methylpiperidin-4-amine
PubChem CID118531507
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC NameN-[(4-butoxyphenyl)methyl]-1-tert-butyl-N-methylpiperidin-4-amine
SMILESCCCCOc1ccc(CN(C)C2CCN(C(C)(C)C)CC2)cc1
InChIInChI=1S/C21H36N2O/c1-6-7-16-24-20-10-8-18(9-11-20)17-22(5)19-12-14-23(15-13-19)21(2,3)4/h8-11,19H,6-7,12-17H2,1-5H3
InChIKeyWOCDFFWHXARYKR-UHFFFAOYSA-N
XLogP4.56
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butoxyphenyl)-N-methanidyl-N-methylmethanamine
CID 59280482
1-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 118531494
N,1-dimethyl-N-[[4-[3-[4-(3H-pyrrol-5-ylmethyl)piperidin-1-yl]propoxy]phenyl]methyl]piperidin-4-amine
CID 159973400
1-ethyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739084
4-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-1-pentylpiperidine
CID 167068129
1-butoxy-4-(3,3-dimethylbutyl)benzene
CID 167030877
1-butoxy-4-[3-(4-propylcyclohexyl)propoxy]benzene
CID 19739002
1-butoxy-4-[(4-methylcyclohexyl)methyl]benzene
CID 130438477
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
2-[4-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]phenoxy]acetic acid
CID 91784125
(3S)-3-[methyl-[[4-[2-(4-propan-2-ylphenoxy)ethyl]phenyl]methyl]amino]pyrrolidine-1-carboxylic acid
CID 67328116
1-butoxy-4-[3-(4-heptylcyclohexyl)propoxy]benzene
CID 19738947

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxyphenyl)methyl]-1-tert-butyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[(4-butoxyphenyl)methyl]-1-tert-butyl-N-methylpiperidin-4-amine (CID 118531507) is N-[(4-butoxyphenyl)methyl]-1-tert-butyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[(4-butoxyphenyl)methyl]-1-tert-butyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[(4-butoxyphenyl)methyl]-1-tert-butyl-N-methylpiperidin-4-amine is CCCCOc1ccc(CN(C)C2CCN(C(C)(C)C)CC2)cc1.
What is the InChIKey of N-[(4-butoxyphenyl)methyl]-1-tert-butyl-N-methylpiperidin-4-amine?
The InChIKey is WOCDFFWHXARYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O/c1-6-7-16-24-20-10-8-18(9-11-20)17-22(5)19-12-14-23(15-13-19)21(2,3)4/h8-11,19H,6-7,12-17H2,1-5H3.
What are the key properties of N-[(4-butoxyphenyl)methyl]-1-tert-butyl-N-methylpiperidin-4-amine?
N-[(4-butoxyphenyl)methyl]-1-tert-butyl-N-methylpiperidin-4-amine has a molecular weight of 332.53 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxyphenyl)methyl]-1-tert-butyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 118531507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).