1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperidin-4-amine

C16H28N4 — CID 79868446

IUPAC1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperidin-4-amine
SMILESCC1CN(Cc2ccn(C3CCCCC3)n2)CCC1N
InChIInChI=1S/C16H28N4/c1-13-11-19(9-8-16(13)17)12-14-7-10-20(18-14)15-5-3-2-4-6-15/h7,10,13,15-16H,2-6,8-9,11-12,17H2,1H3
InChIKeyBSYJDFBBARSPRJ-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.56
Rot. Bonds3

About 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperidin-4-amine

1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperidin-4-amine (PubChem CID 79868446) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperidin-4-amine
PubChem CID79868446
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperidin-4-amine
SMILESCC1CN(Cc2ccn(C3CCCCC3)n2)CCC1N
InChIInChI=1S/C16H28N4/c1-13-11-19(9-8-16(13)17)12-14-7-10-20(18-14)15-5-3-2-4-6-15/h7,10,13,15-16H,2-6,8-9,11-12,17H2,1H3
InChIKeyBSYJDFBBARSPRJ-UHFFFAOYSA-N
XLogP2.56
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-cyclohexylpyrazol-3-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114499152
(3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 104975598
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64784230
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]piperidine-4-carbaldehyde
CID 64776943
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 64783589
1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-3-carbothioamide
CID 64801483

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperidin-4-amine?
The IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperidin-4-amine (CID 79868446) is 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperidin-4-amine?
The canonical SMILES for 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperidin-4-amine is CC1CN(Cc2ccn(C3CCCCC3)n2)CCC1N.
What is the InChIKey of 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperidin-4-amine?
The InChIKey is BSYJDFBBARSPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13-11-19(9-8-16(13)17)12-14-7-10-20(18-14)15-5-3-2-4-6-15/h7,10,13,15-16H,2-6,8-9,11-12,17H2,1H3.
What are the key properties of 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperidin-4-amine?
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperidin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 2.56, 3 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]-3-methylpiperidin-4-amine is sourced from PubChem (CID 79868446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).