N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine

C18H28N2 — CID 43724248

IUPACN-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
SMILESCC(NC(c1ccccc1)C1CC1)C1CCCN(C)C1
InChIInChI=1S/C18H28N2/c1-14(17-9-6-12-20(2)13-17)19-18(16-10-11-16)15-7-4-3-5-8-15/h3-5,7-8,14,16-19H,6,9-13H2,1-2H3
InChIKeyLOHVOHKHIJTMNO-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.46
Rot. Bonds5

About N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine

N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine (PubChem CID 43724248) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
PubChem CID43724248
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
SMILESCC(NC(c1ccccc1)C1CC1)C1CCCN(C)C1
InChIInChI=1S/C18H28N2/c1-14(17-9-6-12-20(2)13-17)19-18(16-10-11-16)15-7-4-3-5-8-15/h3-5,7-8,14,16-19H,6,9-13H2,1-2H3
InChIKeyLOHVOHKHIJTMNO-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine
CID 43308300
N-[cyclohexyl(phenyl)methyl]-1-methylpiperidin-3-amine
CID 61212536
N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 81360507
N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43308252
3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol
CID 43748459
2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol
CID 63261055
1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 81380093
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 81350289
3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-2-amine
CID 43308727
1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine
CID 43688616

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine (CID 43724248) is N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine is CC(NC(c1ccccc1)C1CC1)C1CCCN(C)C1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The InChIKey is LOHVOHKHIJTMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14(17-9-6-12-20(2)13-17)19-18(16-10-11-16)15-7-4-3-5-8-15/h3-5,7-8,14,16-19H,6,9-13H2,1-2H3.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine?
N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine has a molecular weight of 272.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 43724248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).