1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanamine

C15H28N4 — CID 120841022

IUPAC1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanamine
SMILESCc1nn(C(C)C)cc1CN1CCCC(C(C)N)C1
InChIInChI=1S/C15H28N4/c1-11(2)19-10-15(13(4)17-19)9-18-7-5-6-14(8-18)12(3)16/h10-12,14H,5-9,16H2,1-4H3
InChIKeyKWNDETZIJRLMDJ-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.33
Rot. Bonds4

About 1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanamine

1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanamine (PubChem CID 120841022) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanamine
PubChem CID120841022
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanamine
SMILESCc1nn(C(C)C)cc1CN1CCCC(C(C)N)C1
InChIInChI=1S/C15H28N4/c1-11(2)19-10-15(13(4)17-19)9-18-7-5-6-14(8-18)12(3)16/h10-12,14H,5-9,16H2,1-4H3
InChIKeyKWNDETZIJRLMDJ-UHFFFAOYSA-N
XLogP2.33
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120838430
[4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 120844424
1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine
CID 82509495
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
CID 64799039
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925596
1-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
CID 120841095
(6R)-6-methyl-4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1,4-thiazepane 1,1-dioxide
CID 124888339
N-[[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 120842543
4-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-3-methylbenzamide
CID 114484857
1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925517
1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120966307
(1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine
CID 129369862

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanamine (CID 120841022) is 1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanamine is Cc1nn(C(C)C)cc1CN1CCCC(C(C)N)C1.
What is the InChIKey of 1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanamine?
The InChIKey is KWNDETZIJRLMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-11(2)19-10-15(13(4)17-19)9-18-7-5-6-14(8-18)12(3)16/h10-12,14H,5-9,16H2,1-4H3.
What are the key properties of 1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanamine?
1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanamine has a molecular weight of 264.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 120841022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).