(3R,4S)-4-(3,4-dichlorophenyl)-1-methyl-3-(2-methylpropoxymethyl)piperidine

C17H25Cl2NO — CID 10471808

IUPAC(3R,4S)-4-(3,4-dichlorophenyl)-1-methyl-3-(2-methylpropoxymethyl)piperidine
SMILESCC(C)COC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H25Cl2NO/c1-12(2)10-21-11-14-9-20(3)7-6-15(14)13-4-5-16(18)17(19)8-13/h4-5,8,12,14-15H,6-7,9-11H2,1-3H3/t14-,15-/m1/s1
InChIKeyVUQRPUBTPUWZTD-HUUCEWRRSA-N
MW330.30 g/mol
LogP4.70
Rot. Bonds5

About (3R,4S)-4-(3,4-dichlorophenyl)-1-methyl-3-(2-methylpropoxymethyl)piperidine

(3R,4S)-4-(3,4-dichlorophenyl)-1-methyl-3-(2-methylpropoxymethyl)piperidine (PubChem CID 10471808) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is (3R,4S)-4-(3,4-dichlorophenyl)-1-methyl-3-(2-methylpropoxymethyl)piperidine.

Molecular Properties

Compound Name(3R,4S)-4-(3,4-dichlorophenyl)-1-methyl-3-(2-methylpropoxymethyl)piperidine
PubChem CID10471808
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC Name(3R,4S)-4-(3,4-dichlorophenyl)-1-methyl-3-(2-methylpropoxymethyl)piperidine
SMILESCC(C)COC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H25Cl2NO/c1-12(2)10-21-11-14-9-20(3)7-6-15(14)13-4-5-16(18)17(19)8-13/h4-5,8,12,14-15H,6-7,9-11H2,1-3H3/t14-,15-/m1/s1
InChIKeyVUQRPUBTPUWZTD-HUUCEWRRSA-N
XLogP4.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(3,4-dichlorophenyl)-1-methyl-3-(2-methylpropoxymethyl)piperidine?
The IUPAC name of (3R,4S)-4-(3,4-dichlorophenyl)-1-methyl-3-(2-methylpropoxymethyl)piperidine (CID 10471808) is (3R,4S)-4-(3,4-dichlorophenyl)-1-methyl-3-(2-methylpropoxymethyl)piperidine.
What is the SMILES notation for (3R,4S)-4-(3,4-dichlorophenyl)-1-methyl-3-(2-methylpropoxymethyl)piperidine?
The canonical SMILES for (3R,4S)-4-(3,4-dichlorophenyl)-1-methyl-3-(2-methylpropoxymethyl)piperidine is CC(C)COC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3R,4S)-4-(3,4-dichlorophenyl)-1-methyl-3-(2-methylpropoxymethyl)piperidine?
The InChIKey is VUQRPUBTPUWZTD-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H25Cl2NO/c1-12(2)10-21-11-14-9-20(3)7-6-15(14)13-4-5-16(18)17(19)8-13/h4-5,8,12,14-15H,6-7,9-11H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of (3R,4S)-4-(3,4-dichlorophenyl)-1-methyl-3-(2-methylpropoxymethyl)piperidine?
(3R,4S)-4-(3,4-dichlorophenyl)-1-methyl-3-(2-methylpropoxymethyl)piperidine has a molecular weight of 330.30 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(3,4-dichlorophenyl)-1-methyl-3-(2-methylpropoxymethyl)piperidine is sourced from PubChem (CID 10471808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).