4-N-(2-piperidin-1-ylphenyl)cyclohexane-1,4-diamine

C17H27N3 — CID 79724003

IUPAC4-N-(2-piperidin-1-ylphenyl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ccccc2N2CCCCC2)CC1
InChIInChI=1S/C17H27N3/c18-14-8-10-15(11-9-14)19-16-6-2-3-7-17(16)20-12-4-1-5-13-20/h2-3,6-7,14-15,19H,1,4-5,8-13,18H2
InChIKeyBPFAJXUCUJSPNN-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.36
Rot. Bonds3

About 4-N-(2-piperidin-1-ylphenyl)cyclohexane-1,4-diamine

4-N-(2-piperidin-1-ylphenyl)cyclohexane-1,4-diamine (PubChem CID 79724003) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-N-(2-piperidin-1-ylphenyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-piperidin-1-ylphenyl)cyclohexane-1,4-diamine
PubChem CID79724003
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name4-N-(2-piperidin-1-ylphenyl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ccccc2N2CCCCC2)CC1
InChIInChI=1S/C17H27N3/c18-14-8-10-15(11-9-14)19-16-6-2-3-7-17(16)20-12-4-1-5-13-20/h2-3,6-7,14-15,19H,1,4-5,8-13,18H2
InChIKeyBPFAJXUCUJSPNN-UHFFFAOYSA-N
XLogP3.36
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dioxo-N-(2-piperidin-1-ylphenyl)thian-4-amine
CID 43511595
4-ethyl-N-(2-pyrrolidin-1-ylphenyl)cycloheptan-1-amine
CID 65084436
N-(2-piperidin-1-ylphenyl)azepan-4-amine
CID 103980647
N-cyclohexyl-2-morpholin-4-ylaniline
CID 43717230
N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline
CID 43229105
1,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
CID 81466711
1-[2-(oxan-4-ylamino)phenyl]piperidine-4-carboxamide
CID 86784089
N-(2-pyrrolidin-1-ylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43684279
2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide
CID 25349530
1-methyl-N-(2-morpholin-4-ylphenyl)azepan-4-amine
CID 65070370
2-(cyclopentylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 43816730
N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride
CID 174970195

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-piperidin-1-ylphenyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(2-piperidin-1-ylphenyl)cyclohexane-1,4-diamine (CID 79724003) is 4-N-(2-piperidin-1-ylphenyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(2-piperidin-1-ylphenyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(2-piperidin-1-ylphenyl)cyclohexane-1,4-diamine is NC1CCC(Nc2ccccc2N2CCCCC2)CC1.
What is the InChIKey of 4-N-(2-piperidin-1-ylphenyl)cyclohexane-1,4-diamine?
The InChIKey is BPFAJXUCUJSPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c18-14-8-10-15(11-9-14)19-16-6-2-3-7-17(16)20-12-4-1-5-13-20/h2-3,6-7,14-15,19H,1,4-5,8-13,18H2.
What are the key properties of 4-N-(2-piperidin-1-ylphenyl)cyclohexane-1,4-diamine?
4-N-(2-piperidin-1-ylphenyl)cyclohexane-1,4-diamine has a molecular weight of 273.42 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-piperidin-1-ylphenyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79724003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).