N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclopropylpiperidin-4-amine

C18H25ClN2 — CID 43791325

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclopropylpiperidin-4-amine
SMILESClc1ccc(C(NC2CCN(C3CC3)CC2)C2CC2)cc1
InChIInChI=1S/C18H25ClN2/c19-15-5-3-14(4-6-15)18(13-1-2-13)20-16-9-11-21(12-10-16)17-7-8-17/h3-6,13,16-18,20H,1-2,7-12H2
InChIKeyACVPJVRWBGYFHA-UHFFFAOYSA-N
MW304.86 g/mol
LogP4.01
Rot. Bonds5

About N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclopropylpiperidin-4-amine

N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclopropylpiperidin-4-amine (PubChem CID 43791325) has the molecular formula C18H25ClN2 and a molecular weight of 304.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclopropylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclopropylpiperidin-4-amine
PubChem CID43791325
Molecular FormulaC18H25ClN2
Molecular Weight304.86 g/mol
Exact Mass304.17
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclopropylpiperidin-4-amine
SMILESClc1ccc(C(NC2CCN(C3CC3)CC2)C2CC2)cc1
InChIInChI=1S/C18H25ClN2/c19-15-5-3-14(4-6-15)18(13-1-2-13)20-16-9-11-21(12-10-16)17-7-8-17/h3-6,13,16-18,20H,1-2,7-12H2
InChIKeyACVPJVRWBGYFHA-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-1,1-dioxothian-4-amine
CID 43778641
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43792606
3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]cyclohexan-1-ol
CID 43792315
4-[[(4-chlorophenyl)-cyclopentylmethyl]amino]cyclohexane-1-carboxylic acid
CID 122031155
5-[[(4-chlorophenyl)-cyclopropylmethyl]amino]piperidin-2-one
CID 63662235
N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-dimethylpiperidin-4-amine
CID 115707064
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine
CID 43224358
1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine
CID 43791309
N-[1-(4-chlorophenyl)butan-2-yl]-1-cyclobutylpiperidin-4-amine
CID 138057875
1-cyclopropyl-N-[1-(2,3-dichlorophenyl)ethyl]piperidin-4-amine
CID 103776460
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclopropylpiperidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclopropylpiperidin-4-amine (CID 43791325) is N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclopropylpiperidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclopropylpiperidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclopropylpiperidin-4-amine is Clc1ccc(C(NC2CCN(C3CC3)CC2)C2CC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclopropylpiperidin-4-amine?
The InChIKey is ACVPJVRWBGYFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2/c19-15-5-3-14(4-6-15)18(13-1-2-13)20-16-9-11-21(12-10-16)17-7-8-17/h3-6,13,16-18,20H,1-2,7-12H2.
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclopropylpiperidin-4-amine?
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclopropylpiperidin-4-amine has a molecular weight of 304.86 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclopropylpiperidin-4-amine is sourced from PubChem (CID 43791325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).