4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexan-1-amine;trihydrochloride

C14H30Cl3N3 — CID 73014124

IUPAC4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexan-1-amine;trihydrochloride
SMILESCl.Cl.Cl.NC1CCC(N2CCN(CC3CC3)CC2)CC1
InChIInChI=1S/C14H27N3.3ClH/c15-13-3-5-14(6-4-13)17-9-7-16(8-10-17)11-12-1-2-12;;;/h12-14H,1-11,15H2;3*1H
InChIKeyUEFMMJAQQNBVTG-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.55
Rot. Bonds3

About 4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexan-1-amine;trihydrochloride

4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexan-1-amine;trihydrochloride (PubChem CID 73014124) has the molecular formula C14H30Cl3N3 and a molecular weight of 346.77 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexan-1-amine;trihydrochloride.

Molecular Properties

Compound Name4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexan-1-amine;trihydrochloride
PubChem CID73014124
Molecular FormulaC14H30Cl3N3
Molecular Weight346.77 g/mol
Exact Mass345.15
IUPAC Name4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexan-1-amine;trihydrochloride
SMILESCl.Cl.Cl.NC1CCC(N2CCN(CC3CC3)CC2)CC1
InChIInChI=1S/C14H27N3.3ClH/c15-13-3-5-14(6-4-13)17-9-7-16(8-10-17)11-12-1-2-12;;;/h12-14H,1-11,15H2;3*1H
InChIKeyUEFMMJAQQNBVTG-UHFFFAOYSA-N
XLogP2.55
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexan-1-amine;trihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexan-1-amine;trihydrochloride?
The IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexan-1-amine;trihydrochloride (CID 73014124) is 4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexan-1-amine;trihydrochloride.
What is the SMILES notation for 4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexan-1-amine;trihydrochloride?
The canonical SMILES for 4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexan-1-amine;trihydrochloride is Cl.Cl.Cl.NC1CCC(N2CCN(CC3CC3)CC2)CC1.
What is the InChIKey of 4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexan-1-amine;trihydrochloride?
The InChIKey is UEFMMJAQQNBVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3.3ClH/c15-13-3-5-14(6-4-13)17-9-7-16(8-10-17)11-12-1-2-12;;;/h12-14H,1-11,15H2;3*1H.
What are the key properties of 4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexan-1-amine;trihydrochloride?
4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexan-1-amine;trihydrochloride has a molecular weight of 346.77 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 4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexan-1-amine;trihydrochloride is sourced from PubChem (CID 73014124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).