1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine

C18H28N2 — CID 43363145

IUPAC1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine
SMILESCC(NC1CCN(Cc2ccccc2)CC1)C1(C)CC1
InChIInChI=1S/C18H28N2/c1-15(18(2)10-11-18)19-17-8-12-20(13-9-17)14-16-6-4-3-5-7-16/h3-7,15,17,19H,8-14H2,1-2H3
InChIKeyUNYJMNXCBWCELM-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.43
Rot. Bonds5

About 1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine

1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine (PubChem CID 43363145) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine
PubChem CID43363145
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine
SMILESCC(NC1CCN(Cc2ccccc2)CC1)C1(C)CC1
InChIInChI=1S/C18H28N2/c1-15(18(2)10-11-18)19-17-8-12-20(13-9-17)14-16-6-4-3-5-7-16/h3-7,15,17,19H,8-14H2,1-2H3
InChIKeyUNYJMNXCBWCELM-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol
CID 43499736
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine
CID 103724488
1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine
CID 8024741
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 6938115
1-benzyl-N-heptan-2-ylpiperidin-4-amine
CID 43081917
1-benzyl-N-[(1-methylcyclopentyl)methyl]piperidin-4-amine
CID 63821124
1-benzyl-N-(1-methylcyclopropyl)pyrrolidin-3-amine
CID 162433803
1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 122176958
1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine
CID 103735414
1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
CID 1378352
1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea
CID 136517668

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine (CID 43363145) is 1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine is CC(NC1CCN(Cc2ccccc2)CC1)C1(C)CC1.
What is the InChIKey of 1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine?
The InChIKey is UNYJMNXCBWCELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15(18(2)10-11-18)19-17-8-12-20(13-9-17)14-16-6-4-3-5-7-16/h3-7,15,17,19H,8-14H2,1-2H3.
What are the key properties of 1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine?
1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine has a molecular weight of 272.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 43363145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).