3-(3-chlorophenyl)-4,4-dipropylpiperidine

C17H26ClN — CID 79432544

IUPAC3-(3-chlorophenyl)-4,4-dipropylpiperidine
SMILESCCCC1(CCC)CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C17H26ClN/c1-3-8-17(9-4-2)10-11-19-13-16(17)14-6-5-7-15(18)12-14/h5-7,12,16,19H,3-4,8-11,13H2,1-2H3
InChIKeyBBEDXECJQSPQFQ-UHFFFAOYSA-N
MW279.85 g/mol
LogP5.00
Rot. Bonds5

About 3-(3-chlorophenyl)-4,4-dipropylpiperidine

3-(3-chlorophenyl)-4,4-dipropylpiperidine (PubChem CID 79432544) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4,4-dipropylpiperidine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4,4-dipropylpiperidine
PubChem CID79432544
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC Name3-(3-chlorophenyl)-4,4-dipropylpiperidine
SMILESCCCC1(CCC)CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C17H26ClN/c1-3-8-17(9-4-2)10-11-19-13-16(17)14-6-5-7-15(18)12-14/h5-7,12,16,19H,3-4,8-11,13H2,1-2H3
InChIKeyBBEDXECJQSPQFQ-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.85
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-4-(3-chlorophenyl)-3,3-diethylpyrrolidine
CID 125451105
5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane
CID 79430330
3-(3-bromophenyl)-4,4-diethylpiperidine
CID 79433788
11-(3-chlorophenyl)-2-thia-9-azaspiro[5.5]undecane
CID 79433033
4-(3-chlorophenyl)-3-propylpiperidine
CID 79321401
6-(3-chlorophenyl)-2-cyclopropyl-2,8-diazaspiro[4.5]decane
CID 79430003
4-ethyl-3-(3-fluorophenyl)-4-(2-methylbutyl)piperidine
CID 79439867
3-(3-bromophenyl)-4-ethyl-4-(2-methylbutyl)piperidine
CID 79432294
(3S,4R)-3-(3-chlorophenyl)-4-ethylpyrrolidine
CID 125451676
(3S,4R)-3-(3-chlorophenyl)-4-propylpyrrolidine
CID 125452847
3-(4-chlorophenyl)-4,4-bis(2-methylpropyl)piperidine
CID 114867310
3-(3-chlorophenyl)-4-pentan-3-ylpiperidine
CID 79433289

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4,4-dipropylpiperidine?
The IUPAC name of 3-(3-chlorophenyl)-4,4-dipropylpiperidine (CID 79432544) is 3-(3-chlorophenyl)-4,4-dipropylpiperidine.
What is the SMILES notation for 3-(3-chlorophenyl)-4,4-dipropylpiperidine?
The canonical SMILES for 3-(3-chlorophenyl)-4,4-dipropylpiperidine is CCCC1(CCC)CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4,4-dipropylpiperidine?
The InChIKey is BBEDXECJQSPQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-3-8-17(9-4-2)10-11-19-13-16(17)14-6-5-7-15(18)12-14/h5-7,12,16,19H,3-4,8-11,13H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-4,4-dipropylpiperidine?
3-(3-chlorophenyl)-4,4-dipropylpiperidine has a molecular weight of 279.85 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4,4-dipropylpiperidine is sourced from PubChem (CID 79432544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).