1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclohexan-1-amine

C18H29N3 — CID 82026995

IUPAC1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclohexan-1-amine
SMILESCN1CCN(Cc2ccccc2C2(N)CCCCC2)CC1
InChIInChI=1S/C18H29N3/c1-20-11-13-21(14-12-20)15-16-7-3-4-8-17(16)18(19)9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-15,19H2,1H3
InChIKeyCZCYYZFXOZWNOC-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.55
Rot. Bonds3

About 1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclohexan-1-amine

1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclohexan-1-amine (PubChem CID 82026995) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclohexan-1-amine
PubChem CID82026995
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclohexan-1-amine
SMILESCN1CCN(Cc2ccccc2C2(N)CCCCC2)CC1
InChIInChI=1S/C18H29N3/c1-20-11-13-21(14-12-20)15-16-7-3-4-8-17(16)18(19)9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-15,19H2,1H3
InChIKeyCZCYYZFXOZWNOC-UHFFFAOYSA-N
XLogP2.55
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
CID 12973962
1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine
CID 117434122
1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine
CID 117112740
3-[2-(1-aminocyclopropyl)phenyl]-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 115055880
1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-2-amine
CID 117372131
1-[2-(2-fluoropropyl)phenyl]cyclobutan-1-amine
CID 117296596
1-[2-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentan-1-amine
CID 117438963
1-[2-(1-aminocyclohexyl)phenyl]-3-methylimidazolidin-2-one
CID 117436494
1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine
CID 117400051
2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
CID 117372127
2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine
CID 140875365
[2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
CID 107113059

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclohexan-1-amine (CID 82026995) is 1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclohexan-1-amine is CN1CCN(Cc2ccccc2C2(N)CCCCC2)CC1.
What is the InChIKey of 1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclohexan-1-amine?
The InChIKey is CZCYYZFXOZWNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-20-11-13-21(14-12-20)15-16-7-3-4-8-17(16)18(19)9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-15,19H2,1H3.
What are the key properties of 1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclohexan-1-amine?
1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclohexan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclohexan-1-amine is sourced from PubChem (CID 82026995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).