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

C17H26N2 — CID 103724488

IUPAC1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine
SMILESCC1(CNC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C17H26N2/c1-17(9-10-17)14-18-16-7-11-19(12-8-16)13-15-5-3-2-4-6-15/h2-6,16,18H,7-14H2,1H3
InChIKeyTUTAKTDBWUELSZ-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.04
Rot. Bonds5

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

1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine (PubChem CID 103724488) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine
PubChem CID103724488
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine
SMILESCC1(CNC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C17H26N2/c1-17(9-10-17)14-18-16-7-11-19(12-8-16)13-15-5-3-2-4-6-15/h2-6,16,18H,7-14H2,1H3
InChIKeyTUTAKTDBWUELSZ-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-[(1-methylcyclopentyl)methyl]piperidin-4-amine
CID 63821124
1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine
CID 103735414
1-benzyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidin-3-amine
CID 103748644
1-benzyl-N-[(1-ethylcyclobutyl)methyl]piperidin-4-amine
CID 103741195
(3S)-3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1-methylpyrrolidin-3-ol
CID 99777650
1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine
CID 122566362
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-butylpiperidin-4-amine
CID 11253643
1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine
CID 43363145
1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine
CID 103748632
1-benzyl-N-(1-methylcyclopropyl)pyrrolidin-3-amine
CID 162433803
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine (CID 103724488) is 1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine is CC1(CNC2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine?
The InChIKey is TUTAKTDBWUELSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-17(9-10-17)14-18-16-7-11-19(12-8-16)13-15-5-3-2-4-6-15/h2-6,16,18H,7-14H2,1H3.
What are the key properties of 1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine?
1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine has a molecular weight of 258.41 g/mol, XLogP of 3.04, 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-methylcyclopropyl)methyl]piperidin-4-amine is sourced from PubChem (CID 103724488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).