4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine

C17H27N3 — CID 102672687

IUPAC4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine
SMILESNC1CCC(NC2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C17H27N3/c18-14-6-8-15(9-7-14)19-16-10-12-20(13-11-16)17-4-2-1-3-5-17/h1-5,14-16,19H,6-13,18H2
InChIKeyRFRAFASWXYLJSS-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.51
Rot. Bonds3

About 4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine

4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine (PubChem CID 102672687) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine
PubChem CID102672687
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine
SMILESNC1CCC(NC2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C17H27N3/c18-14-6-8-15(9-7-14)19-16-10-12-20(13-11-16)17-4-2-1-3-5-17/h1-5,14-16,19H,6-13,18H2
InChIKeyRFRAFASWXYLJSS-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-1-phenylpiperidin-4-amine
CID 103901830
4-N-methyl-4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine
CID 104973837
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
1,3-dimethyl-N-(1-phenylpiperidin-4-yl)piperidin-4-amine
CID 103778408
N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine
CID 103902375
4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine
CID 62314935
N-(2,2-dimethyloxan-4-yl)-1-phenylpiperidin-4-amine
CID 103904738
N-(1-phenylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-amine
CID 128860995
4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 10684726
4-N-(2,3-dihydro-1H-inden-2-yl)cyclohexane-1,4-diamine
CID 62313141
3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione
CID 106820358
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine (CID 102672687) is 4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine is NC1CCC(NC2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of 4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine?
The InChIKey is RFRAFASWXYLJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c18-14-6-8-15(9-7-14)19-16-10-12-20(13-11-16)17-4-2-1-3-5-17/h1-5,14-16,19H,6-13,18H2.
What are the key properties of 4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine?
4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine has a molecular weight of 273.42 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 102672687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).