1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine

C18H30N2 — CID 43748363

IUPAC1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
SMILESCCCCN1CCC(NC(C)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H30N2/c1-4-5-12-20-13-10-18(11-14-20)19-16(3)17-8-6-15(2)7-9-17/h6-9,16,18-19H,4-5,10-14H2,1-3H3
InChIKeyYVBNXHGPTGLJQI-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.91
Rot. Bonds6

About 1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine

1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine (PubChem CID 43748363) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
PubChem CID43748363
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
SMILESCCCCN1CCC(NC(C)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H30N2/c1-4-5-12-20-13-10-18(11-14-20)19-16(3)17-8-6-15(2)7-9-17/h6-9,16,18-19H,4-5,10-14H2,1-3H3
InChIKeyYVBNXHGPTGLJQI-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206682
1-ethyl-N-[(1S)-1-(4-methylphenyl)ethyl]azepan-4-amine
CID 81356240
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine
CID 28717671
N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206708
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 61461431
1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine
CID 43748320
2-amino-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 120670008
1-butyl-N-propan-2-ylpiperidin-4-amine
CID 43748392
N-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43373316
N-(1-phenylethyl)-1-propylazepan-4-amine
CID 65072569

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine (CID 43748363) is 1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine is CCCCN1CCC(NC(C)c2ccc(C)cc2)CC1.
What is the InChIKey of 1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine?
The InChIKey is YVBNXHGPTGLJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-5-12-20-13-10-18(11-14-20)19-16(3)17-8-6-15(2)7-9-17/h6-9,16,18-19H,4-5,10-14H2,1-3H3.
What are the key properties of 1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine?
1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine has a molecular weight of 274.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 43748363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).