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

C15H29ClN4 — CID 120843546

IUPACN-methyl-2-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride
SMILESCNCCC1CCN(Cc2ccnn2C(C)C)CC1.Cl
InChIInChI=1S/C15H28N4.ClH/c1-13(2)19-15(5-9-17-19)12-18-10-6-14(7-11-18)4-8-16-3;/h5,9,13-14,16H,4,6-8,10-12H2,1-3H3;1H
InChIKeyMXCNGMQUVHTYPH-UHFFFAOYSA-N
MW300.88 g/mol
LogP2.71
Rot. Bonds6

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

N-methyl-2-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride (PubChem CID 120843546) has the molecular formula C15H29ClN4 and a molecular weight of 300.88 g/mol. Its IUPAC name is N-methyl-2-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride
PubChem CID120843546
Molecular FormulaC15H29ClN4
Molecular Weight300.88 g/mol
Exact Mass300.21
IUPAC NameN-methyl-2-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride
SMILESCNCCC1CCN(Cc2ccnn2C(C)C)CC1.Cl
InChIInChI=1S/C15H28N4.ClH/c1-13(2)19-15(5-9-17-19)12-18-10-6-14(7-11-18)4-8-16-3;/h5,9,13-14,16H,4,6-8,10-12H2,1-3H3;1H
InChIKeyMXCNGMQUVHTYPH-UHFFFAOYSA-N
XLogP2.71
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.88
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120842604
[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837782
N-methyl-3-(2-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 105439686
1-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
CID 120841095
3-methyl-5-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 128983203
(4aS,8aR)-6-[(2-propan-2-ylpyrazol-3-yl)methyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 110135677
4-bromo-5-[4-[2-(methylamino)ethyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 114445508
2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843473
2-[(2-propan-2-ylpyrazol-3-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine;hydrochloride
CID 120844094
2-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843537
2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine
CID 80606353
[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine
CID 120841938

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of N-methyl-2-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride (CID 120843546) is N-methyl-2-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride is CNCCC1CCN(Cc2ccnn2C(C)C)CC1.Cl.
What is the InChIKey of N-methyl-2-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is MXCNGMQUVHTYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4.ClH/c1-13(2)19-15(5-9-17-19)12-18-10-6-14(7-11-18)4-8-16-3;/h5,9,13-14,16H,4,6-8,10-12H2,1-3H3;1H.
What are the key properties of N-methyl-2-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride?
N-methyl-2-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 300.88 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120843546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).