1-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine

C13H24N4 — CID 113237556

IUPAC1-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine
SMILESCCCn1cc(CNC2CCCN(C)C2)cn1
InChIInChI=1S/C13H24N4/c1-3-6-17-10-12(9-15-17)8-14-13-5-4-7-16(2)11-13/h9-10,13-14H,3-8,11H2,1-2H3
InChIKeyWOVMQQUYRXGZQT-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.48
Rot. Bonds5

About 1-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine

1-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine (PubChem CID 113237556) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine
PubChem CID113237556
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine
SMILESCCCn1cc(CNC2CCCN(C)C2)cn1
InChIInChI=1S/C13H24N4/c1-3-6-17-10-12(9-15-17)8-14-13-5-4-7-16(2)11-13/h9-10,13-14H,3-8,11H2,1-2H3
InChIKeyWOVMQQUYRXGZQT-UHFFFAOYSA-N
XLogP1.48
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine
CID 115632215
N-[(1-ethylpyrazol-4-yl)methyl]-1-propylpiperidin-4-amine
CID 62127257
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine
CID 55110496
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3R)-1-methylpiperidin-3-yl]methanamine
CID 94358827
1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine
CID 66400036
N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine
CID 61212892
N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115622223
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine
CID 115762067
N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 65460455
N-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine
CID 61211231
N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 114477117

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of 1-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine (CID 113237556) is 1-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for 1-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine is CCCn1cc(CNC2CCCN(C)C2)cn1.
What is the InChIKey of 1-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is WOVMQQUYRXGZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-6-17-10-12(9-15-17)8-14-13-5-4-7-16(2)11-13/h9-10,13-14H,3-8,11H2,1-2H3.
What are the key properties of 1-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine?
1-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 113237556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).