1-propan-2-ylpiperidin-4-amine

C8H18N2 — CID 3163333

IUPAC1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N)CC1
InChIInChI=1S/C8H18N2/c1-7(2)10-5-3-8(9)4-6-10/h7-8H,3-6,9H2,1-2H3
InChIKeyZRQQXFMGYSOKDF-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.82
Rot. Bonds1

About 1-propan-2-ylpiperidin-4-amine

1-propan-2-ylpiperidin-4-amine (PubChem CID 3163333) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-propan-2-ylpiperidin-4-amine
PubChem CID3163333
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N)CC1
InChIInChI=1S/C8H18N2/c1-7(2)10-5-3-8(9)4-6-10/h7-8H,3-6,9H2,1-2H3
InChIKeyZRQQXFMGYSOKDF-UHFFFAOYSA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpiperidin-4-amine?
The IUPAC name of 1-propan-2-ylpiperidin-4-amine (CID 3163333) is 1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(N)CC1.
What is the InChIKey of 1-propan-2-ylpiperidin-4-amine?
The InChIKey is ZRQQXFMGYSOKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-7(2)10-5-3-8(9)4-6-10/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 1-propan-2-ylpiperidin-4-amine?
1-propan-2-ylpiperidin-4-amine has a molecular weight of 142.25 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 3163333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).