[4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine

C15H28N4 — CID 103440773

IUPAC[4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine
SMILESCc1nn(C)c(C)c1C(C)N1CCC(C)CC1CN
InChIInChI=1S/C15H28N4/c1-10-6-7-19(14(8-10)9-16)13(4)15-11(2)17-18(5)12(15)3/h10,13-14H,6-9,16H2,1-5H3
InChIKeySXLQJUQPMDJJBA-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.16
Rot. Bonds3

About [4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine

[4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine (PubChem CID 103440773) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is [4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine
PubChem CID103440773
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name[4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine
SMILESCc1nn(C)c(C)c1C(C)N1CCC(C)CC1CN
InChIInChI=1S/C15H28N4/c1-10-6-7-19(14(8-10)9-16)13(4)15-11(2)17-18(5)12(15)3/h10,13-14H,6-9,16H2,1-5H3
InChIKeySXLQJUQPMDJJBA-UHFFFAOYSA-N
XLogP2.16
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 113285223
[4-methyl-1-(3-methylbutan-2-yl)piperidin-2-yl]methanamine
CID 103440507
(4-methyl-1-propan-2-ylpiperidin-2-yl)methanamine
CID 103440582
[4-methyl-1-(1-pyridin-4-ylethyl)piperidin-2-yl]methanamine
CID 103440649
4-ethyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210034
1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975656
(1-but-3-en-2-yl-4-methylpiperidin-2-yl)methanamine
CID 103442149
3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-4-amine
CID 81458250
[1-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine
CID 103440659
[4-methyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine
CID 103440626
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 103441911
[(4-methylcyclohexyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105311803

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine (CID 103440773) is [4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine is Cc1nn(C)c(C)c1C(C)N1CCC(C)CC1CN.
What is the InChIKey of [4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine?
The InChIKey is SXLQJUQPMDJJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-10-6-7-19(14(8-10)9-16)13(4)15-11(2)17-18(5)12(15)3/h10,13-14H,6-9,16H2,1-5H3.
What are the key properties of [4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine?
[4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine has a molecular weight of 264.42 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 103440773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).