(3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone

C12H22N2O2 — CID 112531005

IUPAC(3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone
SMILESNC1CCCN(C(=O)C2CCC(O)CC2)C1
InChIInChI=1S/C12H22N2O2/c13-10-2-1-7-14(8-10)12(16)9-3-5-11(15)6-4-9/h9-11,15H,1-8,13H2
InChIKeyVSIOHMCUPIVVLD-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.49
Rot. Bonds1

About (3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone

(3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone (PubChem CID 112531005) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone
PubChem CID112531005
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone
SMILESNC1CCCN(C(=O)C2CCC(O)CC2)C1
InChIInChI=1S/C12H22N2O2/c13-10-2-1-7-14(8-10)12(16)9-3-5-11(15)6-4-9/h9-11,15H,1-8,13H2
InChIKeyVSIOHMCUPIVVLD-UHFFFAOYSA-N
XLogP0.49
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone (CID 112531005) is (3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone is NC1CCCN(C(=O)C2CCC(O)CC2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone?
The InChIKey is VSIOHMCUPIVVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-10-2-1-7-14(8-10)12(16)9-3-5-11(15)6-4-9/h9-11,15H,1-8,13H2.
What are the key properties of (3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone?
(3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone is sourced from PubChem (CID 112531005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).