(2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone

C17H25N3O — CID 64818303

IUPAC(2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone
SMILESNC1CCCCC1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H25N3O/c18-16-9-5-4-8-15(16)17(21)20-12-10-19(11-13-20)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13,18H2
InChIKeyWCCWWXOVNFXILB-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.85
Rot. Bonds2

About (2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone

(2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 64818303) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID64818303
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone
SMILESNC1CCCCC1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H25N3O/c18-16-9-5-4-8-15(16)17(21)20-12-10-19(11-13-20)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13,18H2
InChIKeyWCCWWXOVNFXILB-UHFFFAOYSA-N
XLogP1.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2933500
(2-hydroxycyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 110013572
(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone
CID 119683412
[(1R,2S)-2-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 124510897
(2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 64823960
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218
(2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831874
cis-(1R,2S)-2-[4-(4-chlorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 7308003
cis-(1R,2S)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 873866
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 2886463
trans-(1S,2S)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 873868
oxan-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 110853203

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone (CID 64818303) is (2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone is NC1CCCCC1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is WCCWWXOVNFXILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-16-9-5-4-8-15(16)17(21)20-12-10-19(11-13-20)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13,18H2.
What are the key properties of (2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone?
(2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 287.41 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 64818303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).