[2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanamine

C22H31N5 — CID 58229709

IUPAC[2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanamine
SMILESNCc1cc(-c2ccnc(CC3CCCCC3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C22H31N5/c23-16-18-13-21(26-22(14-18)27-10-8-24-9-11-27)19-6-7-25-20(15-19)12-17-4-2-1-3-5-17/h6-7,13-15,17,24H,1-5,8-12,16,23H2
InChIKeyQPNFUNNNFABPIS-UHFFFAOYSA-N
MW365.53 g/mol
LogP3.13
Rot. Bonds5

About [2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanamine

[2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanamine (PubChem CID 58229709) has the molecular formula C22H31N5 and a molecular weight of 365.53 g/mol. Its IUPAC name is [2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanamine
PubChem CID58229709
Molecular FormulaC22H31N5
Molecular Weight365.53 g/mol
Exact Mass365.26
IUPAC Name[2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanamine
SMILESNCc1cc(-c2ccnc(CC3CCCCC3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C22H31N5/c23-16-18-13-21(26-22(14-18)27-10-8-24-9-11-27)19-6-7-25-20(15-19)12-17-4-2-1-3-5-17/h6-7,13-15,17,24H,1-5,8-12,16,23H2
InChIKeyQPNFUNNNFABPIS-UHFFFAOYSA-N
XLogP3.13
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanol
CID 58229622
4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine
CID 67088547
[2-(4-cyclohexylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine
CID 90390288
2-(2-benzyl-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile
CID 58229726
6-[2-[(4-aminocyclohexyl)methyl]-4-pyridinyl]-N-(cyclohexylmethyl)pyridin-2-amine
CID 58127366
tert-butyl (2R)-4-[6-[2-(cyclohexylmethyl)-4-pyridinyl]-4-methoxycarbonyl-2-pyridinyl]-2-methylpiperazine-1-carboxylate
CID 58229672
1-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]-3-phenylurea
CID 67088464
2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine
CID 171686343
N-tert-butyl-2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxamide
CID 58229656
2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid
CID 142786606
4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine
CID 159957482
2-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole;formaldehyde
CID 144801100

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanamine?
The IUPAC name of [2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanamine (CID 58229709) is [2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanamine?
The canonical SMILES for [2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanamine is NCc1cc(-c2ccnc(CC3CCCCC3)c2)nc(N2CCNCC2)c1.
What is the InChIKey of [2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanamine?
The InChIKey is QPNFUNNNFABPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5/c23-16-18-13-21(26-22(14-18)27-10-8-24-9-11-27)19-6-7-25-20(15-19)12-17-4-2-1-3-5-17/h6-7,13-15,17,24H,1-5,8-12,16,23H2.
What are the key properties of [2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanamine?
[2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanamine has a molecular weight of 365.53 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanamine is sourced from PubChem (CID 58229709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).