1-[(4-butoxyphenyl)methyl]-2-methylpiperidin-4-amine

C17H28N2O — CID 75509563

IUPAC1-[(4-butoxyphenyl)methyl]-2-methylpiperidin-4-amine
SMILESCCCCOc1ccc(CN2CCC(N)CC2C)cc1
InChIInChI=1S/C17H28N2O/c1-3-4-11-20-17-7-5-15(6-8-17)13-19-10-9-16(18)12-14(19)2/h5-8,14,16H,3-4,9-13,18H2,1-2H3
InChIKeyGUYBGSUMBRUEQS-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.18
Rot. Bonds6

About 1-[(4-butoxyphenyl)methyl]-2-methylpiperidin-4-amine

1-[(4-butoxyphenyl)methyl]-2-methylpiperidin-4-amine (PubChem CID 75509563) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[(4-butoxyphenyl)methyl]-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(4-butoxyphenyl)methyl]-2-methylpiperidin-4-amine
PubChem CID75509563
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[(4-butoxyphenyl)methyl]-2-methylpiperidin-4-amine
SMILESCCCCOc1ccc(CN2CCC(N)CC2C)cc1
InChIInChI=1S/C17H28N2O/c1-3-4-11-20-17-7-5-15(6-8-17)13-19-10-9-16(18)12-14(19)2/h5-8,14,16H,3-4,9-13,18H2,1-2H3
InChIKeyGUYBGSUMBRUEQS-UHFFFAOYSA-N
XLogP3.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.18
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

1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidin-4-amine
CID 67623117
4-[(4-amino-2-methylpiperidin-1-yl)methyl]benzoic acid
CID 115312935
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-(4-propoxyphenyl)propan-1-one
CID 124682725
1-[(4-butoxyphenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122124354
1-[[3-(difluoromethyl)phenyl]methyl]-2-methylpiperidin-4-amine
CID 113328880
[(2R)-1-[(4-decoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 162650307
1-butoxy-4-[(4-methylcyclohexyl)methyl]benzene
CID 130438477
(3S)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 94339773
(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 68965269
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
2-[2-(4-butylphenoxy)ethyl]cyclopentan-1-amine
CID 115492496
2-methyl-1-(pyrimidin-4-ylmethyl)piperidin-4-amine
CID 115312023

Frequently Asked Questions

What is the IUPAC name of 1-[(4-butoxyphenyl)methyl]-2-methylpiperidin-4-amine?
The IUPAC name of 1-[(4-butoxyphenyl)methyl]-2-methylpiperidin-4-amine (CID 75509563) is 1-[(4-butoxyphenyl)methyl]-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(4-butoxyphenyl)methyl]-2-methylpiperidin-4-amine?
The canonical SMILES for 1-[(4-butoxyphenyl)methyl]-2-methylpiperidin-4-amine is CCCCOc1ccc(CN2CCC(N)CC2C)cc1.
What is the InChIKey of 1-[(4-butoxyphenyl)methyl]-2-methylpiperidin-4-amine?
The InChIKey is GUYBGSUMBRUEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-4-11-20-17-7-5-15(6-8-17)13-19-10-9-16(18)12-14(19)2/h5-8,14,16H,3-4,9-13,18H2,1-2H3.
What are the key properties of 1-[(4-butoxyphenyl)methyl]-2-methylpiperidin-4-amine?
1-[(4-butoxyphenyl)methyl]-2-methylpiperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 3.18, 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]-2-methylpiperidin-4-amine is sourced from PubChem (CID 75509563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).