1-(cyclohexylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine

C17H30N4 — CID 56821604

IUPAC1-(cyclohexylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine
SMILESCc1[nH]ncc1CNC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C17H30N4/c1-14-16(12-19-20-14)11-18-17-7-9-21(10-8-17)13-15-5-3-2-4-6-15/h12,15,17-18H,2-11,13H2,1H3,(H,19,20)
InChIKeyPQYQNONSABDTGF-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.85
Rot. Bonds5

About 1-(cyclohexylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine

1-(cyclohexylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine (PubChem CID 56821604) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine
PubChem CID56821604
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name1-(cyclohexylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine
SMILESCc1[nH]ncc1CNC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C17H30N4/c1-14-16(12-19-20-14)11-18-17-7-9-21(10-8-17)13-15-5-3-2-4-6-15/h12,15,17-18H,2-11,13H2,1H3,(H,19,20)
InChIKeyPQYQNONSABDTGF-UHFFFAOYSA-N
XLogP2.85
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methyl-1H-pyrazol-4-yl)piperidine
CID 82414450
2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 43663560
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730745
2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 43747825
3-(4-ethyl-1H-pyrazol-5-yl)piperidine
CID 56741722
4-(4-ethyl-1H-pyrazol-5-yl)piperidine
CID 56750914
N-[(5-methyl-1H-pyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 61309755
1-(5-methyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
CID 86808372
2-(azepan-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 86808497
(2S)-2-N,2-N,4-trimethyl-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentane-1,2-diamine
CID 93257810
2-[(3S)-3-methylpiperidin-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 97837262
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[5.5]undecane-2-carboxamide
CID 127888702

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(cyclohexylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine (CID 56821604) is 1-(cyclohexylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine is Cc1[nH]ncc1CNC1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is PQYQNONSABDTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-14-16(12-19-20-14)11-18-17-7-9-21(10-8-17)13-15-5-3-2-4-6-15/h12,15,17-18H,2-11,13H2,1H3,(H,19,20).
What are the key properties of 1-(cyclohexylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine?
1-(cyclohexylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 290.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 56821604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).