N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine

C18H28N2 — CID 24731541

IUPACN-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine
SMILESc1ccc(CCCN2CCC(NCC3CC3)CC2)cc1
InChIInChI=1S/C18H28N2/c1-2-5-16(6-3-1)7-4-12-20-13-10-18(11-14-20)19-15-17-8-9-17/h1-3,5-6,17-19H,4,7-15H2
InChIKeyWPWHZLVHLOLNIH-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.08
Rot. Bonds7

About N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine

N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine (PubChem CID 24731541) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine
PubChem CID24731541
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine
SMILESc1ccc(CCCN2CCC(NCC3CC3)CC2)cc1
InChIInChI=1S/C18H28N2/c1-2-5-16(6-3-1)7-4-12-20-13-10-18(11-14-20)19-15-17-8-9-17/h1-3,5-6,17-19H,4,7-15H2
InChIKeyWPWHZLVHLOLNIH-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24786198
1-(2-phenylethyl)-N-(thiolan-3-ylmethyl)piperidin-4-amine
CID 107165898
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
4-(chloromethyl)-1-(3-phenylpropyl)piperidine
CID 55183322
N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine
CID 114333870
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol
CID 115307344
N-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30982606
3-(bromomethyl)-1-(3-phenylpropyl)pyrrolidine
CID 80691457

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine (CID 24731541) is N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine is c1ccc(CCCN2CCC(NCC3CC3)CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine?
The InChIKey is WPWHZLVHLOLNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-5-16(6-3-1)7-4-12-20-13-10-18(11-14-20)19-15-17-8-9-17/h1-3,5-6,17-19H,4,7-15H2.
What are the key properties of N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine?
N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine has a molecular weight of 272.44 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine is sourced from PubChem (CID 24731541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).