3-methyl-1-propylpiperidine

C9H19N — CID 6428890

IUPAC3-methyl-1-propylpiperidine
SMILESCCCN1CCCC(C)C1
InChIInChI=1S/C9H19N/c1-3-6-10-7-4-5-9(2)8-10/h9H,3-8H2,1-2H3
InChIKeyYIRIERBVWIOARY-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.13
Rot. Bonds2

About 3-methyl-1-propylpiperidine

3-methyl-1-propylpiperidine (PubChem CID 6428890) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3-methyl-1-propylpiperidine.

Molecular Properties

Compound Name3-methyl-1-propylpiperidine
PubChem CID6428890
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3-methyl-1-propylpiperidine
SMILESCCCN1CCCC(C)C1
InChIInChI=1S/C9H19N/c1-3-6-10-7-4-5-9(2)8-10/h9H,3-8H2,1-2H3
InChIKeyYIRIERBVWIOARY-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Propylpiperidine
CID 21644
Piperidine, 1,3,5-trimethyl-
CID 100164
1-Pentylpiperidine
CID 25153
1-Cyclohexylmethyl-4-methyl-piperidine
CID 15153359
1-Butylpiperidine
CID 78654
1,4-Dimethylpiperidine
CID 136514
1,3-Dimethylpiperidine
CID 136517
1-Ethyl-4-methylpiperidine
CID 4178649
1-Butyl-4-methylpiperidine
CID 4104802
1-Hexyl-4-methylpiperidine
CID 4525600
1-Ethyl-3-methylpiperidine
CID 102760
Piperidine, 1-(2-methylpropyl)-
CID 139128

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propylpiperidine?
The IUPAC name of 3-methyl-1-propylpiperidine (CID 6428890) is 3-methyl-1-propylpiperidine.
What is the SMILES notation for 3-methyl-1-propylpiperidine?
The canonical SMILES for 3-methyl-1-propylpiperidine is CCCN1CCCC(C)C1.
What is the InChIKey of 3-methyl-1-propylpiperidine?
The InChIKey is YIRIERBVWIOARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-3-6-10-7-4-5-9(2)8-10/h9H,3-8H2,1-2H3.
What are the key properties of 3-methyl-1-propylpiperidine?
3-methyl-1-propylpiperidine has a molecular weight of 141.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propylpiperidine is sourced from PubChem (CID 6428890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).