4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexan-1-amine

C19H29Cl2N3 — CID 175137576

IUPAC4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexan-1-amine
SMILESCC1CN(CCC2CCC(N)CC2)CCN1c1cccc(Cl)c1Cl
InChIInChI=1S/C19H29Cl2N3/c1-14-13-23(10-9-15-5-7-16(22)8-6-15)11-12-24(14)18-4-2-3-17(20)19(18)21/h2-4,14-16H,5-13,22H2,1H3
InChIKeyPTNABAICDPADFU-UHFFFAOYSA-N
MW370.37 g/mol
LogP4.41
Rot. Bonds4

About 4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexan-1-amine

4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexan-1-amine (PubChem CID 175137576) has the molecular formula C19H29Cl2N3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexan-1-amine
PubChem CID175137576
Molecular FormulaC19H29Cl2N3
Molecular Weight370.37 g/mol
Exact Mass369.17
IUPAC Name4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexan-1-amine
SMILESCC1CN(CCC2CCC(N)CC2)CCN1c1cccc(Cl)c1Cl
InChIInChI=1S/C19H29Cl2N3/c1-14-13-23(10-9-15-5-7-16(22)8-6-15)11-12-24(14)18-4-2-3-17(20)19(18)21/h2-4,14-16H,5-13,22H2,1H3
InChIKeyPTNABAICDPADFU-UHFFFAOYSA-N
XLogP4.41
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(3R)-4-(2,3-dichloro-4-deuteriophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexan-1-amine
CID 156704239
3-[4-[2-[(3S)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea
CID 156704364
N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide
CID 156704246
N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-3,3-difluoroazetidine-1-carboxamide
CID 156704383
N-[4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]pyridine-3-sulfonamide
CID 175603662
3-[2-[4-(2,3-dimethylphenyl)-3-methylpiperazin-1-yl]ethyl]cyclobutan-1-amine
CID 155035289
N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclopropane-1-carboxamide
CID 175603643
1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine
CID 68811205
[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]urea
CID 11200383
N-[4-[2-[4-(2,3-dichloro-4-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-2-hydroxy-2-methylpropanamide
CID 175603557
2-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-N,N-dimethylacetamide;hydrochloride
CID 158018409
[[[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]amino]-hydroxymethylidene]-dimethylazanium
CID 139031870

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexan-1-amine (CID 175137576) is 4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexan-1-amine is CC1CN(CCC2CCC(N)CC2)CCN1c1cccc(Cl)c1Cl.
What is the InChIKey of 4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexan-1-amine?
The InChIKey is PTNABAICDPADFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29Cl2N3/c1-14-13-23(10-9-15-5-7-16(22)8-6-15)11-12-24(14)18-4-2-3-17(20)19(18)21/h2-4,14-16H,5-13,22H2,1H3.
What are the key properties of 4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexan-1-amine?
4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexan-1-amine has a molecular weight of 370.37 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 175137576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).