1-(1-cyclohexylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine

C22H33N5 — CID 45197766

IUPAC1-(1-cyclohexylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
SMILESc1cncc(CN(Cc2ccn[nH]2)CC2CCCN(C3CCCCC3)C2)c1
InChIInChI=1S/C22H33N5/c1-2-8-22(9-3-1)27-13-5-7-20(17-27)16-26(18-21-10-12-24-25-21)15-19-6-4-11-23-14-19/h4,6,10-12,14,20,22H,1-3,5,7-9,13,15-18H2,(H,24,25)
InChIKeyBNVBWMNOCRKQKO-UHFFFAOYSA-N
MW367.54 g/mol
LogP3.85
Rot. Bonds7

About 1-(1-cyclohexylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine

1-(1-cyclohexylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 45197766) has the molecular formula C22H33N5 and a molecular weight of 367.54 g/mol. Its IUPAC name is 1-(1-cyclohexylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-cyclohexylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
PubChem CID45197766
Molecular FormulaC22H33N5
Molecular Weight367.54 g/mol
Exact Mass367.27
IUPAC Name1-(1-cyclohexylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
SMILESc1cncc(CN(Cc2ccn[nH]2)CC2CCCN(C3CCCCC3)C2)c1
InChIInChI=1S/C22H33N5/c1-2-8-22(9-3-1)27-13-5-7-20(17-27)16-26(18-21-10-12-24-25-21)15-19-6-4-11-23-14-19/h4,6,10-12,14,20,22H,1-3,5,7-9,13,15-18H2,(H,24,25)
InChIKeyBNVBWMNOCRKQKO-UHFFFAOYSA-N
XLogP3.85
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
CID 25274473
1-(1-cyclohexylpiperidin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 45177609
1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 45232683
1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 42521827
1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 45185942
1-[(3S)-1-cyclohexylpiperidin-3-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 42519066
1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 97271472
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 42198636
2-[[[(3R)-1-cyclohexylpiperidin-3-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-6-ethoxyphenol
CID 42291480
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 97281081
3-amino-N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 72885841
1-(1-cyclohexylpiperidin-3-yl)-N-[[1-(3-methylphenyl)indol-3-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 167070521

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(1-cyclohexylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine (CID 45197766) is 1-(1-cyclohexylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-cyclohexylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1-cyclohexylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine is c1cncc(CN(Cc2ccn[nH]2)CC2CCCN(C3CCCCC3)C2)c1.
What is the InChIKey of 1-(1-cyclohexylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is BNVBWMNOCRKQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5/c1-2-8-22(9-3-1)27-13-5-7-20(17-27)16-26(18-21-10-12-24-25-21)15-19-6-4-11-23-14-19/h4,6,10-12,14,20,22H,1-3,5,7-9,13,15-18H2,(H,24,25).
What are the key properties of 1-(1-cyclohexylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine?
1-(1-cyclohexylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 367.54 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 45197766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).