3-methyl-1-propylpiperidine;propane

C12H27N — CID 145147959

IUPAC3-methyl-1-propylpiperidine;propane
SMILESCCC.CCCN1CCCC(C)C1
InChIInChI=1S/C9H19N.C3H8/c1-3-6-10-7-4-5-9(2)8-10;1-3-2/h9H,3-8H2,1-2H3;3H2,1-2H3
InChIKeyNHOPQQCXDUSKEO-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.54
Rot. Bonds2

About 3-methyl-1-propylpiperidine;propane

3-methyl-1-propylpiperidine;propane (PubChem CID 145147959) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 3-methyl-1-propylpiperidine;propane.

Molecular Properties

Compound Name3-methyl-1-propylpiperidine;propane
PubChem CID145147959
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name3-methyl-1-propylpiperidine;propane
SMILESCCC.CCCN1CCCC(C)C1
InChIInChI=1S/C9H19N.C3H8/c1-3-6-10-7-4-5-9(2)8-10;1-3-2/h9H,3-8H2,1-2H3;3H2,1-2H3
InChIKeyNHOPQQCXDUSKEO-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-heptyl-3-methylpiperidine;methanesulfonic acid
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(3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propylpiperidine;propane?
The IUPAC name of 3-methyl-1-propylpiperidine;propane (CID 145147959) is 3-methyl-1-propylpiperidine;propane.
What is the SMILES notation for 3-methyl-1-propylpiperidine;propane?
The canonical SMILES for 3-methyl-1-propylpiperidine;propane is CCC.CCCN1CCCC(C)C1.
What is the InChIKey of 3-methyl-1-propylpiperidine;propane?
The InChIKey is NHOPQQCXDUSKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C3H8/c1-3-6-10-7-4-5-9(2)8-10;1-3-2/h9H,3-8H2,1-2H3;3H2,1-2H3.
What are the key properties of 3-methyl-1-propylpiperidine;propane?
3-methyl-1-propylpiperidine;propane has a molecular weight of 185.35 g/mol, XLogP of 3.54, 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;propane is sourced from PubChem (CID 145147959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).