4-(3-methoxypiperidin-1-yl)-N-methylpentan-1-amine

C12H26N2O — CID 102968095

IUPAC4-(3-methoxypiperidin-1-yl)-N-methylpentan-1-amine
SMILESCNCCCC(C)N1CCCC(OC)C1
InChIInChI=1S/C12H26N2O/c1-11(6-4-8-13-2)14-9-5-7-12(10-14)15-3/h11-13H,4-10H2,1-3H3
InChIKeyCVPNLBKZCIHKQK-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds6

About 4-(3-methoxypiperidin-1-yl)-N-methylpentan-1-amine

4-(3-methoxypiperidin-1-yl)-N-methylpentan-1-amine (PubChem CID 102968095) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-(3-methoxypiperidin-1-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name4-(3-methoxypiperidin-1-yl)-N-methylpentan-1-amine
PubChem CID102968095
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-(3-methoxypiperidin-1-yl)-N-methylpentan-1-amine
SMILESCNCCCC(C)N1CCCC(OC)C1
InChIInChI=1S/C12H26N2O/c1-11(6-4-8-13-2)14-9-5-7-12(10-14)15-3/h11-13H,4-10H2,1-3H3
InChIKeyCVPNLBKZCIHKQK-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypyrrolidin-1-yl)-N-methylbutan-1-amine
CID 103539768
3-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 102968159
N-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine
CID 102968396
2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
CID 102968134
N-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine
CID 102968384
methyl 3-(3-methoxypiperidin-1-yl)butanoate
CID 102959580
4-(4-ethoxypiperidin-1-yl)-N-methylpentan-1-amine
CID 62427995
methanol;3-methoxy-1-propan-2-ylpiperidine
CID 172576314
3-(3-methoxypiperidin-1-yl)-N-propylbutan-2-amine
CID 102965543
N,N-dimethyl-1-[5-(methylamino)pentan-2-yl]piperidin-4-amine
CID 62432463
3-(3-methoxypiperidin-1-yl)-2-methylbutan-1-amine
CID 102968184
N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine
CID 62437779

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypiperidin-1-yl)-N-methylpentan-1-amine?
The IUPAC name of 4-(3-methoxypiperidin-1-yl)-N-methylpentan-1-amine (CID 102968095) is 4-(3-methoxypiperidin-1-yl)-N-methylpentan-1-amine.
What is the SMILES notation for 4-(3-methoxypiperidin-1-yl)-N-methylpentan-1-amine?
The canonical SMILES for 4-(3-methoxypiperidin-1-yl)-N-methylpentan-1-amine is CNCCCC(C)N1CCCC(OC)C1.
What is the InChIKey of 4-(3-methoxypiperidin-1-yl)-N-methylpentan-1-amine?
The InChIKey is CVPNLBKZCIHKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(6-4-8-13-2)14-9-5-7-12(10-14)15-3/h11-13H,4-10H2,1-3H3.
What are the key properties of 4-(3-methoxypiperidin-1-yl)-N-methylpentan-1-amine?
4-(3-methoxypiperidin-1-yl)-N-methylpentan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypiperidin-1-yl)-N-methylpentan-1-amine is sourced from PubChem (CID 102968095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).