4-methyl-2-(4-phenylpiperazin-1-yl)cyclohexan-1-amine

C17H27N3 — CID 82171454

IUPAC4-methyl-2-(4-phenylpiperazin-1-yl)cyclohexan-1-amine
SMILESCC1CCC(N)C(N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C17H27N3/c1-14-7-8-16(18)17(13-14)20-11-9-19(10-12-20)15-5-3-2-4-6-15/h2-6,14,16-17H,7-13,18H2,1H3
InChIKeyYRCBZRPCZAOBDV-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.32
Rot. Bonds2

About 4-methyl-2-(4-phenylpiperazin-1-yl)cyclohexan-1-amine

4-methyl-2-(4-phenylpiperazin-1-yl)cyclohexan-1-amine (PubChem CID 82171454) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-methyl-2-(4-phenylpiperazin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-(4-phenylpiperazin-1-yl)cyclohexan-1-amine
PubChem CID82171454
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name4-methyl-2-(4-phenylpiperazin-1-yl)cyclohexan-1-amine
SMILESCC1CCC(N)C(N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C17H27N3/c1-14-7-8-16(18)17(13-14)20-11-9-19(10-12-20)15-5-3-2-4-6-15/h2-6,14,16-17H,7-13,18H2,1H3
InChIKeyYRCBZRPCZAOBDV-UHFFFAOYSA-N
XLogP2.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylcyclohexan-1-amine
CID 82171456
1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine
CID 6937921
1-methyl-3-(4-phenylpiperazin-1-yl)piperidin-4-amine
CID 82171483
2-(azocan-1-yl)-4-methylcyclohexan-1-amine
CID 43211884
[2-(4-phenylpiperazin-1-yl)cyclopentyl]methanamine
CID 43293527
4-methyl-2-(4-propylpiperazin-1-yl)cyclohexan-1-amine
CID 16791098
ethane;4-methyl-1-phenylpiperidine
CID 143180672
1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine
CID 2846385
4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
CID 55141742
1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine
CID 2845220
1-cycloheptyl-4-phenylpiperazine
CID 2846720
methylcyclohexane;1-phenylpiperidine
CID 174582589

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-phenylpiperazin-1-yl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-2-(4-phenylpiperazin-1-yl)cyclohexan-1-amine (CID 82171454) is 4-methyl-2-(4-phenylpiperazin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-(4-phenylpiperazin-1-yl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-(4-phenylpiperazin-1-yl)cyclohexan-1-amine is CC1CCC(N)C(N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of 4-methyl-2-(4-phenylpiperazin-1-yl)cyclohexan-1-amine?
The InChIKey is YRCBZRPCZAOBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14-7-8-16(18)17(13-14)20-11-9-19(10-12-20)15-5-3-2-4-6-15/h2-6,14,16-17H,7-13,18H2,1H3.
What are the key properties of 4-methyl-2-(4-phenylpiperazin-1-yl)cyclohexan-1-amine?
4-methyl-2-(4-phenylpiperazin-1-yl)cyclohexan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-phenylpiperazin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 82171454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).