1-[(1-cyclohexylpyrazol-3-yl)methyl]-N,3-dimethylpiperidin-4-amine

C17H30N4 — CID 114499152

IUPAC1-[(1-cyclohexylpyrazol-3-yl)methyl]-N,3-dimethylpiperidin-4-amine
SMILESCNC1CCN(Cc2ccn(C3CCCCC3)n2)CC1C
InChIInChI=1S/C17H30N4/c1-14-12-20(10-9-17(14)18-2)13-15-8-11-21(19-15)16-6-4-3-5-7-16/h8,11,14,16-18H,3-7,9-10,12-13H2,1-2H3
InChIKeyKWQSDVUTUAZMCD-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.82
Rot. Bonds4

About 1-[(1-cyclohexylpyrazol-3-yl)methyl]-N,3-dimethylpiperidin-4-amine

1-[(1-cyclohexylpyrazol-3-yl)methyl]-N,3-dimethylpiperidin-4-amine (PubChem CID 114499152) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[(1-cyclohexylpyrazol-3-yl)methyl]-N,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(1-cyclohexylpyrazol-3-yl)methyl]-N,3-dimethylpiperidin-4-amine
PubChem CID114499152
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name1-[(1-cyclohexylpyrazol-3-yl)methyl]-N,3-dimethylpiperidin-4-amine
SMILESCNC1CCN(Cc2ccn(C3CCCCC3)n2)CC1C
InChIInChI=1S/C17H30N4/c1-14-12-20(10-9-17(14)18-2)13-15-8-11-21(19-15)16-6-4-3-5-7-16/h8,11,14,16-18H,3-7,9-10,12-13H2,1-2H3
InChIKeyKWQSDVUTUAZMCD-UHFFFAOYSA-N
XLogP2.82
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperidin-4-amine
CID 79868446
(3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 104975598
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 64783589
3-[[3-(chloromethyl)pyrrolidin-1-yl]methyl]-1-cyclohexylpyrazole
CID 64779907
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 64833588
3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115314453
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
3-chloro-1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine
CID 64779699
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64784230
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine
CID 64801540
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methyl]-N,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methyl]-N,3-dimethylpiperidin-4-amine (CID 114499152) is 1-[(1-cyclohexylpyrazol-3-yl)methyl]-N,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(1-cyclohexylpyrazol-3-yl)methyl]-N,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(1-cyclohexylpyrazol-3-yl)methyl]-N,3-dimethylpiperidin-4-amine is CNC1CCN(Cc2ccn(C3CCCCC3)n2)CC1C.
What is the InChIKey of 1-[(1-cyclohexylpyrazol-3-yl)methyl]-N,3-dimethylpiperidin-4-amine?
The InChIKey is KWQSDVUTUAZMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-14-12-20(10-9-17(14)18-2)13-15-8-11-21(19-15)16-6-4-3-5-7-16/h8,11,14,16-18H,3-7,9-10,12-13H2,1-2H3.
What are the key properties of 1-[(1-cyclohexylpyrazol-3-yl)methyl]-N,3-dimethylpiperidin-4-amine?
1-[(1-cyclohexylpyrazol-3-yl)methyl]-N,3-dimethylpiperidin-4-amine has a molecular weight of 290.45 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexylpyrazol-3-yl)methyl]-N,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 114499152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).