1-cyclopropyl-N-[1-(2,3-dichlorophenyl)ethyl]piperidin-4-amine

C16H22Cl2N2 — CID 103776460

IUPAC1-cyclopropyl-N-[1-(2,3-dichlorophenyl)ethyl]piperidin-4-amine
SMILESCC(NC1CCN(C2CC2)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H22Cl2N2/c1-11(14-3-2-4-15(17)16(14)18)19-12-7-9-20(10-8-12)13-5-6-13/h2-4,11-13,19H,5-10H2,1H3
InChIKeyJFPOHAOXMPFFDV-UHFFFAOYSA-N
MW313.27 g/mol
LogP4.27
Rot. Bonds4

About 1-cyclopropyl-N-[1-(2,3-dichlorophenyl)ethyl]piperidin-4-amine

1-cyclopropyl-N-[1-(2,3-dichlorophenyl)ethyl]piperidin-4-amine (PubChem CID 103776460) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-(2,3-dichlorophenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-(2,3-dichlorophenyl)ethyl]piperidin-4-amine
PubChem CID103776460
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC Name1-cyclopropyl-N-[1-(2,3-dichlorophenyl)ethyl]piperidin-4-amine
SMILESCC(NC1CCN(C2CC2)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H22Cl2N2/c1-11(14-3-2-4-15(17)16(14)18)19-12-7-9-20(10-8-12)13-5-6-13/h2-4,11-13,19H,5-10H2,1H3
InChIKeyJFPOHAOXMPFFDV-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-1-cyclopropyl-N-[(1S)-1-(2,3-dichlorophenyl)ethyl]-5-methylpyrrolidin-3-amine
CID 97322592
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine
CID 103777374
1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223681
4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 43747094
N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclopropylpyrrolidin-3-amine
CID 81379064
1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine
CID 43747073
1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine
CID 43791309
1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine
CID 43748320
tert-butyl 3-[1-(2,3-dichlorophenyl)ethylamino]azepane-1-carboxylate
CID 114079617
N-[1-(2-chlorophenyl)ethyl]oxan-4-amine
CID 43608488
N-[(1R)-1-(2-chlorophenyl)ethyl]thian-4-amine
CID 81376998
1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine
CID 43747046

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-(2,3-dichlorophenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-cyclopropyl-N-[1-(2,3-dichlorophenyl)ethyl]piperidin-4-amine (CID 103776460) is 1-cyclopropyl-N-[1-(2,3-dichlorophenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-N-[1-(2,3-dichlorophenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-cyclopropyl-N-[1-(2,3-dichlorophenyl)ethyl]piperidin-4-amine is CC(NC1CCN(C2CC2)CC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-cyclopropyl-N-[1-(2,3-dichlorophenyl)ethyl]piperidin-4-amine?
The InChIKey is JFPOHAOXMPFFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2/c1-11(14-3-2-4-15(17)16(14)18)19-12-7-9-20(10-8-12)13-5-6-13/h2-4,11-13,19H,5-10H2,1H3.
What are the key properties of 1-cyclopropyl-N-[1-(2,3-dichlorophenyl)ethyl]piperidin-4-amine?
1-cyclopropyl-N-[1-(2,3-dichlorophenyl)ethyl]piperidin-4-amine has a molecular weight of 313.27 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-(2,3-dichlorophenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 103776460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).