4-(4-methylpiperidin-1-yl)butan-1-amine

C10H22N2 — CID 7138415

IUPAC4-(4-methylpiperidin-1-yl)butan-1-amine
SMILESCC1CCN(CCCCN)CC1
InChIInChI=1S/C10H22N2/c1-10-4-8-12(9-5-10)7-3-2-6-11/h10H,2-9,11H2,1H3
InChIKeyFJNFRGONJYTZEF-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.46
Rot. Bonds4

About 4-(4-methylpiperidin-1-yl)butan-1-amine

4-(4-methylpiperidin-1-yl)butan-1-amine (PubChem CID 7138415) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)butan-1-amine
PubChem CID7138415
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name4-(4-methylpiperidin-1-yl)butan-1-amine
SMILESCC1CCN(CCCCN)CC1
InChIInChI=1S/C10H22N2/c1-10-4-8-12(9-5-10)7-3-2-6-11/h10H,2-9,11H2,1H3
InChIKeyFJNFRGONJYTZEF-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)butan-1-amine?
The IUPAC name of 4-(4-methylpiperidin-1-yl)butan-1-amine (CID 7138415) is 4-(4-methylpiperidin-1-yl)butan-1-amine.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)butan-1-amine?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)butan-1-amine is CC1CCN(CCCCN)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)butan-1-amine?
The InChIKey is FJNFRGONJYTZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-10-4-8-12(9-5-10)7-3-2-6-11/h10H,2-9,11H2,1H3.
What are the key properties of 4-(4-methylpiperidin-1-yl)butan-1-amine?
4-(4-methylpiperidin-1-yl)butan-1-amine has a molecular weight of 170.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 7138415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).