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

C15H29ClN4 — CID 120842604

IUPACN-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(Cc2ccnn2C(C)C)CC1.Cl
InChIInChI=1S/C15H28N4.ClH/c1-4-16-11-14-6-9-18(10-7-14)12-15-5-8-17-19(15)13(2)3;/h5,8,13-14,16H,4,6-7,9-12H2,1-3H3;1H
InChIKeyTVMKQZIGTWIFKL-UHFFFAOYSA-N
MW300.88 g/mol
LogP2.71
Rot. Bonds6

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

N-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride (PubChem CID 120842604) has the molecular formula C15H29ClN4 and a molecular weight of 300.88 g/mol. Its IUPAC name is N-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
PubChem CID120842604
Molecular FormulaC15H29ClN4
Molecular Weight300.88 g/mol
Exact Mass300.21
IUPAC NameN-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(Cc2ccnn2C(C)C)CC1.Cl
InChIInChI=1S/C15H28N4.ClH/c1-4-16-11-14-6-9-18(10-7-14)12-15-5-8-17-19(15)13(2)3;/h5,8,13-14,16H,4,6-7,9-12H2,1-3H3;1H
InChIKeyTVMKQZIGTWIFKL-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120843546
[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837782
N-[[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 120842641
N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 120842509
N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 104869799
N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 54793664
N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 79266938
N-[[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 120842543
3-methyl-5-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 128983203
2-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 80550845
N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928186
N-[[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120842456

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride (CID 120842604) is N-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride is CCNCC1CCN(Cc2ccnn2C(C)C)CC1.Cl.
What is the InChIKey of N-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The InChIKey is TVMKQZIGTWIFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4.ClH/c1-4-16-11-14-6-9-18(10-7-14)12-15-5-8-17-19(15)13(2)3;/h5,8,13-14,16H,4,6-7,9-12H2,1-3H3;1H.
What are the key properties of N-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
N-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]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-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 120842604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).