1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine

C16H23ClN2 — CID 83996341

IUPAC1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine
SMILESClc1cccc(CN2CCCC(NCC3CC3)C2)c1
InChIInChI=1S/C16H23ClN2/c17-15-4-1-3-14(9-15)11-19-8-2-5-16(12-19)18-10-13-6-7-13/h1,3-4,9,13,16,18H,2,5-8,10-12H2
InChIKeyOWPPSSNQRNLCKJ-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.30
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine

1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine (PubChem CID 83996341) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine
PubChem CID83996341
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine
SMILESClc1cccc(CN2CCCC(NCC3CC3)C2)c1
InChIInChI=1S/C16H23ClN2/c17-15-4-1-3-14(9-15)11-19-8-2-5-16(12-19)18-10-13-6-7-13/h1,3-4,9,13,16,18H,2,5-8,10-12H2
InChIKeyOWPPSSNQRNLCKJ-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582064
1-benzyl-N-(cyclopropylmethyl)azepan-3-amine
CID 83488648
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
CID 40514299
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine
CID 61210462
(3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine
CID 51656625
1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine
CID 70716309
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582239
N-[[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 103038269
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone
CID 119919779
(3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 97082368

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine (CID 83996341) is 1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine is Clc1cccc(CN2CCCC(NCC3CC3)C2)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine?
The InChIKey is OWPPSSNQRNLCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c17-15-4-1-3-14(9-15)11-19-8-2-5-16(12-19)18-10-13-6-7-13/h1,3-4,9,13,16,18H,2,5-8,10-12H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine?
1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine has a molecular weight of 278.83 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine is sourced from PubChem (CID 83996341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).