(2R)-N-(2-cyclopentylethyl)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-methylbutan-2-amine

C23H36Cl2N2 — CID 58457576

IUPAC(2R)-N-(2-cyclopentylethyl)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-methylbutan-2-amine
SMILESCC(C)[C@H](CN1CCC(c2ccc(Cl)c(Cl)c2)CC1)NCCC1CCCC1
InChIInChI=1S/C23H36Cl2N2/c1-17(2)23(26-12-9-18-5-3-4-6-18)16-27-13-10-19(11-14-27)20-7-8-21(24)22(25)15-20/h7-8,15,17-19,23,26H,3-6,9-14,16H2,1-2H3/t23-/m0/s1
InChIKeyOQPALMNOVVJAQZ-QHCPKHFHSA-N
MW411.46 g/mol
LogP6.37
Rot. Bonds8

About (2R)-N-(2-cyclopentylethyl)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-methylbutan-2-amine

(2R)-N-(2-cyclopentylethyl)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-methylbutan-2-amine (PubChem CID 58457576) has the molecular formula C23H36Cl2N2 and a molecular weight of 411.46 g/mol. Its IUPAC name is (2R)-N-(2-cyclopentylethyl)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2R)-N-(2-cyclopentylethyl)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-methylbutan-2-amine
PubChem CID58457576
Molecular FormulaC23H36Cl2N2
Molecular Weight411.46 g/mol
Exact Mass410.23
IUPAC Name(2R)-N-(2-cyclopentylethyl)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-methylbutan-2-amine
SMILESCC(C)[C@H](CN1CCC(c2ccc(Cl)c(Cl)c2)CC1)NCCC1CCCC1
InChIInChI=1S/C23H36Cl2N2/c1-17(2)23(26-12-9-18-5-3-4-6-18)16-27-13-10-19(11-14-27)20-7-8-21(24)22(25)15-20/h7-8,15,17-19,23,26H,3-6,9-14,16H2,1-2H3/t23-/m0/s1
InChIKeyOQPALMNOVVJAQZ-QHCPKHFHSA-N
XLogP6.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-(2-cyclopentylethyl)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-methylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyclopentylethyl)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-methylbutan-2-amine?
The IUPAC name of (2R)-N-(2-cyclopentylethyl)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-methylbutan-2-amine (CID 58457576) is (2R)-N-(2-cyclopentylethyl)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-methylbutan-2-amine.
What is the SMILES notation for (2R)-N-(2-cyclopentylethyl)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-methylbutan-2-amine?
The canonical SMILES for (2R)-N-(2-cyclopentylethyl)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-methylbutan-2-amine is CC(C)[C@H](CN1CCC(c2ccc(Cl)c(Cl)c2)CC1)NCCC1CCCC1.
What is the InChIKey of (2R)-N-(2-cyclopentylethyl)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-methylbutan-2-amine?
The InChIKey is OQPALMNOVVJAQZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H36Cl2N2/c1-17(2)23(26-12-9-18-5-3-4-6-18)16-27-13-10-19(11-14-27)20-7-8-21(24)22(25)15-20/h7-8,15,17-19,23,26H,3-6,9-14,16H2,1-2H3/t23-/m0/s1.
What are the key properties of (2R)-N-(2-cyclopentylethyl)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-methylbutan-2-amine?
(2R)-N-(2-cyclopentylethyl)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-methylbutan-2-amine has a molecular weight of 411.46 g/mol, XLogP of 6.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyclopentylethyl)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-methylbutan-2-amine is sourced from PubChem (CID 58457576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).