1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine

C18H28N2 — CID 103735414

IUPAC1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine
SMILESCCC1(CNC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C18H28N2/c1-2-18(10-11-18)15-19-17-8-12-20(13-9-17)14-16-6-4-3-5-7-16/h3-7,17,19H,2,8-15H2,1H3
InChIKeyXFFVQIJMMZNXFM-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.43
Rot. Bonds6

About 1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine

1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine (PubChem CID 103735414) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine
PubChem CID103735414
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine
SMILESCCC1(CNC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C18H28N2/c1-2-18(10-11-18)15-19-17-8-12-20(13-9-17)14-16-6-4-3-5-7-16/h3-7,17,19H,2,8-15H2,1H3
InChIKeyXFFVQIJMMZNXFM-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

1-benzyl-N-[(1-ethylcyclobutyl)methyl]piperidin-4-amine
CID 103741195
1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine
CID 103748632
1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine
CID 103724488
1-benzyl-N-[(1-methylcyclopentyl)methyl]piperidin-4-amine
CID 63821124
1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine
CID 122566362
1-benzyl-N-butylpiperidin-4-amine
CID 11253643
(3S)-3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1-methylpyrrolidin-3-ol
CID 99777650
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
N-[[1-[(1-benzylpiperidin-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanamine
CID 137428321
N-[(1-benzylcyclopropyl)methyl]cyclopropanamine
CID 66026239
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
CID 1378352

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine (CID 103735414) is 1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine is CCC1(CNC2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine?
The InChIKey is XFFVQIJMMZNXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-18(10-11-18)15-19-17-8-12-20(13-9-17)14-16-6-4-3-5-7-16/h3-7,17,19H,2,8-15H2,1H3.
What are the key properties of 1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine?
1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine has a molecular weight of 272.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine is sourced from PubChem (CID 103735414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).