(1-aminocyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone

C14H27N3O — CID 43585335

IUPAC(1-aminocyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2(N)CCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-12(2)16-8-10-17(11-9-16)13(18)14(15)6-4-3-5-7-14/h12H,3-11,15H2,1-2H3
InChIKeyXNQGRZVFEWTQSX-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.20
Rot. Bonds2

About (1-aminocyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone

(1-aminocyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 43585335) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (1-aminocyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID43585335
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(1-aminocyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2(N)CCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-12(2)16-8-10-17(11-9-16)13(18)14(15)6-4-3-5-7-14/h12H,3-11,15H2,1-2H3
InChIKeyXNQGRZVFEWTQSX-UHFFFAOYSA-N
XLogP1.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-aminocyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 43585335) is (1-aminocyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-aminocyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-aminocyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)C2(N)CCCCC2)CC1.
What is the InChIKey of (1-aminocyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is XNQGRZVFEWTQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(2)16-8-10-17(11-9-16)13(18)14(15)6-4-3-5-7-14/h12H,3-11,15H2,1-2H3.
What are the key properties of (1-aminocyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(1-aminocyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 253.39 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 43585335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).