[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine

C13H24N4 — CID 19623264

IUPAC[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine
SMILESCc1nn(C)c(C)c1CN1CCC(CN)CC1
InChIInChI=1S/C13H24N4/c1-10-13(11(2)16(3)15-10)9-17-6-4-12(8-14)5-7-17/h12H,4-9,14H2,1-3H3
InChIKeyJILBCTIPNANPPC-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.21
Rot. Bonds3

About [1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine

[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine (PubChem CID 19623264) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is [1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine
PubChem CID19623264
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine
SMILESCc1nn(C)c(C)c1CN1CCC(CN)CC1
InChIInChI=1S/C13H24N4/c1-10-13(11(2)16(3)15-10)9-17-6-4-12(8-14)5-7-17/h12H,4-9,14H2,1-3H3
InChIKeyJILBCTIPNANPPC-UHFFFAOYSA-N
XLogP1.21
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 19623272
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol
CID 110912836
3-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732713
(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 111123110
ethyl 2-[4-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 120834690
[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 114393446
N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 79238263
1-(azetidin-3-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 66201337
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 129488572
[1-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanamine
CID 54793607
4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 103575106
1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole
CID 155139116

Frequently Asked Questions

What is the IUPAC name of [1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine (CID 19623264) is [1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine is Cc1nn(C)c(C)c1CN1CCC(CN)CC1.
What is the InChIKey of [1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine?
The InChIKey is JILBCTIPNANPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10-13(11(2)16(3)15-10)9-17-6-4-12(8-14)5-7-17/h12H,4-9,14H2,1-3H3.
What are the key properties of [1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine?
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 19623264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).