(2R)-N-(cyclohexylmethyl)-N-methyl-2-phenyl-4-[4-(3-phenylpropyl)piperidin-1-yl]butan-1-amine

C32H48N2 — CID 101147371

IUPAC(2R)-N-(cyclohexylmethyl)-N-methyl-2-phenyl-4-[4-(3-phenylpropyl)piperidin-1-yl]butan-1-amine
SMILESCN(CC1CCCCC1)C[C@H](CCN1CCC(CCCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C32H48N2/c1-33(26-30-14-7-3-8-15-30)27-32(31-18-9-4-10-19-31)22-25-34-23-20-29(21-24-34)17-11-16-28-12-5-2-6-13-28/h2,4-6,9-10,12-13,18-19,29-30,32H,3,7-8,11,14-17,20-27H2,1H3/t32-/m0/s1
InChIKeyRMJKBCQACIGDBG-YTTGMZPUSA-N
MW460.75 g/mol
LogP7.41
Rot. Bonds12

About (2R)-N-(cyclohexylmethyl)-N-methyl-2-phenyl-4-[4-(3-phenylpropyl)piperidin-1-yl]butan-1-amine

(2R)-N-(cyclohexylmethyl)-N-methyl-2-phenyl-4-[4-(3-phenylpropyl)piperidin-1-yl]butan-1-amine (PubChem CID 101147371) has the molecular formula C32H48N2 and a molecular weight of 460.75 g/mol. Its IUPAC name is (2R)-N-(cyclohexylmethyl)-N-methyl-2-phenyl-4-[4-(3-phenylpropyl)piperidin-1-yl]butan-1-amine.

Molecular Properties

Compound Name(2R)-N-(cyclohexylmethyl)-N-methyl-2-phenyl-4-[4-(3-phenylpropyl)piperidin-1-yl]butan-1-amine
PubChem CID101147371
Molecular FormulaC32H48N2
Molecular Weight460.75 g/mol
Exact Mass460.38
IUPAC Name(2R)-N-(cyclohexylmethyl)-N-methyl-2-phenyl-4-[4-(3-phenylpropyl)piperidin-1-yl]butan-1-amine
SMILESCN(CC1CCCCC1)C[C@H](CCN1CCC(CCCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C32H48N2/c1-33(26-30-14-7-3-8-15-30)27-32(31-18-9-4-10-19-31)22-25-34-23-20-29(21-24-34)17-11-16-28-12-5-2-6-13-28/h2,4-6,9-10,12-13,18-19,29-30,32H,3,7-8,11,14-17,20-27H2,1H3/t32-/m0/s1
InChIKeyRMJKBCQACIGDBG-YTTGMZPUSA-N
XLogP7.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.75
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexylmethyl)-N-methyl-2-phenyl-4-[4-(3-phenylpropyl)piperidin-1-yl]butan-1-amine?
The IUPAC name of (2R)-N-(cyclohexylmethyl)-N-methyl-2-phenyl-4-[4-(3-phenylpropyl)piperidin-1-yl]butan-1-amine (CID 101147371) is (2R)-N-(cyclohexylmethyl)-N-methyl-2-phenyl-4-[4-(3-phenylpropyl)piperidin-1-yl]butan-1-amine.
What is the SMILES notation for (2R)-N-(cyclohexylmethyl)-N-methyl-2-phenyl-4-[4-(3-phenylpropyl)piperidin-1-yl]butan-1-amine?
The canonical SMILES for (2R)-N-(cyclohexylmethyl)-N-methyl-2-phenyl-4-[4-(3-phenylpropyl)piperidin-1-yl]butan-1-amine is CN(CC1CCCCC1)C[C@H](CCN1CCC(CCCc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of (2R)-N-(cyclohexylmethyl)-N-methyl-2-phenyl-4-[4-(3-phenylpropyl)piperidin-1-yl]butan-1-amine?
The InChIKey is RMJKBCQACIGDBG-YTTGMZPUSA-N. The full InChI is InChI=1S/C32H48N2/c1-33(26-30-14-7-3-8-15-30)27-32(31-18-9-4-10-19-31)22-25-34-23-20-29(21-24-34)17-11-16-28-12-5-2-6-13-28/h2,4-6,9-10,12-13,18-19,29-30,32H,3,7-8,11,14-17,20-27H2,1H3/t32-/m0/s1.
What are the key properties of (2R)-N-(cyclohexylmethyl)-N-methyl-2-phenyl-4-[4-(3-phenylpropyl)piperidin-1-yl]butan-1-amine?
(2R)-N-(cyclohexylmethyl)-N-methyl-2-phenyl-4-[4-(3-phenylpropyl)piperidin-1-yl]butan-1-amine has a molecular weight of 460.75 g/mol, XLogP of 7.41, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexylmethyl)-N-methyl-2-phenyl-4-[4-(3-phenylpropyl)piperidin-1-yl]butan-1-amine is sourced from PubChem (CID 101147371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).