3-chloro-5-methyl-1-propylpiperidine

C9H18ClN — CID 131151056

IUPAC3-chloro-5-methyl-1-propylpiperidine
SMILESCCCN1CC(C)CC(Cl)C1
InChIInChI=1S/C9H18ClN/c1-3-4-11-6-8(2)5-9(10)7-11/h8-9H,3-7H2,1-2H3
InChIKeyXWSDFSOXNXHANS-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.35
Rot. Bonds2

About 3-chloro-5-methyl-1-propylpiperidine

3-chloro-5-methyl-1-propylpiperidine (PubChem CID 131151056) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is 3-chloro-5-methyl-1-propylpiperidine.

Molecular Properties

Compound Name3-chloro-5-methyl-1-propylpiperidine
PubChem CID131151056
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC Name3-chloro-5-methyl-1-propylpiperidine
SMILESCCCN1CC(C)CC(Cl)C1
InChIInChI=1S/C9H18ClN/c1-3-4-11-6-8(2)5-9(10)7-11/h8-9H,3-7H2,1-2H3
InChIKeyXWSDFSOXNXHANS-UHFFFAOYSA-N
XLogP2.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1-propylpiperidine-3-carboxylic acid
CID 130942470
(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
CID 59055005
3-chloro-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 131002547
1-butan-2-yl-3-chloro-5-methylpiperidine
CID 130802847
2-(3,5-dimethylpiperidin-1-yl)ethanol
CID 43394133
3,6-dimethyl-1-propyl-1-azacyclohept-4-yne
CID 143070430
1-butyl-N,5-dimethylpiperidin-3-amine
CID 112541244
acetic acid;3-methyl-1-propylpyrrolidine
CID 175874786
3-methyl-1-propylpiperidine;propane
CID 145147959
ethane;3-methyl-1-propylpiperidine
CID 156729460
1-(9-bromononyl)-3,5-dimethylpiperidine
CID 105343565
6-(3,5-dimethylpiperidin-1-yl)hexan-3-one
CID 106801147

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-1-propylpiperidine?
The IUPAC name of 3-chloro-5-methyl-1-propylpiperidine (CID 131151056) is 3-chloro-5-methyl-1-propylpiperidine.
What is the SMILES notation for 3-chloro-5-methyl-1-propylpiperidine?
The canonical SMILES for 3-chloro-5-methyl-1-propylpiperidine is CCCN1CC(C)CC(Cl)C1.
What is the InChIKey of 3-chloro-5-methyl-1-propylpiperidine?
The InChIKey is XWSDFSOXNXHANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN/c1-3-4-11-6-8(2)5-9(10)7-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-chloro-5-methyl-1-propylpiperidine?
3-chloro-5-methyl-1-propylpiperidine has a molecular weight of 175.70 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-1-propylpiperidine is sourced from PubChem (CID 131151056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).