4-(4-chlorophenyl)-1-propylpiperidine

C14H20ClN — CID 70686262

IUPAC4-(4-chlorophenyl)-1-propylpiperidine
SMILESCCCN1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H20ClN/c1-2-9-16-10-7-13(8-11-16)12-3-5-14(15)6-4-12/h3-6,13H,2,7-11H2,1H3
InChIKeyVJMHFTWPTBTXRW-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.93
Rot. Bonds3

About 4-(4-chlorophenyl)-1-propylpiperidine

4-(4-chlorophenyl)-1-propylpiperidine (PubChem CID 70686262) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-propylpiperidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-propylpiperidine
PubChem CID70686262
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name4-(4-chlorophenyl)-1-propylpiperidine
SMILESCCCN1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H20ClN/c1-2-9-16-10-7-13(8-11-16)12-3-5-14(15)6-4-12/h3-6,13H,2,7-11H2,1H3
InChIKeyVJMHFTWPTBTXRW-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-propylpiperidine?
The IUPAC name of 4-(4-chlorophenyl)-1-propylpiperidine (CID 70686262) is 4-(4-chlorophenyl)-1-propylpiperidine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-propylpiperidine?
The canonical SMILES for 4-(4-chlorophenyl)-1-propylpiperidine is CCCN1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-propylpiperidine?
The InChIKey is VJMHFTWPTBTXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-2-9-16-10-7-13(8-11-16)12-3-5-14(15)6-4-12/h3-6,13H,2,7-11H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-propylpiperidine?
4-(4-chlorophenyl)-1-propylpiperidine has a molecular weight of 237.77 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-propylpiperidine is sourced from PubChem (CID 70686262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).