N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine

C12H26N2 — CID 142253638

IUPACN,1-dimethyl-N-pentan-2-ylpiperidin-4-amine
SMILESCCCC(C)N(C)C1CCN(C)CC1
InChIInChI=1S/C12H26N2/c1-5-6-11(2)14(4)12-7-9-13(3)10-8-12/h11-12H,5-10H2,1-4H3
InChIKeyOQPPQJHAGLEVJR-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.20
Rot. Bonds4

About N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine

N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine (PubChem CID 142253638) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-pentan-2-ylpiperidin-4-amine
PubChem CID142253638
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN,1-dimethyl-N-pentan-2-ylpiperidin-4-amine
SMILESCCCC(C)N(C)C1CCN(C)CC1
InChIInChI=1S/C12H26N2/c1-5-6-11(2)14(4)12-7-9-13(3)10-8-12/h11-12H,5-10H2,1-4H3
InChIKeyOQPPQJHAGLEVJR-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine?
The IUPAC name of N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine (CID 142253638) is N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine is CCCC(C)N(C)C1CCN(C)CC1.
What is the InChIKey of N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine?
The InChIKey is OQPPQJHAGLEVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-6-11(2)14(4)12-7-9-13(3)10-8-12/h11-12H,5-10H2,1-4H3.
What are the key properties of N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine?
N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine has a molecular weight of 198.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine is sourced from PubChem (CID 142253638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).