N-[[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride

C13H24Cl2N4 — CID 120842456

IUPACN-[[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(Cc2c(Cl)cnn2C)CC1.Cl
InChIInChI=1S/C13H23ClN4.ClH/c1-3-15-8-11-4-6-18(7-5-11)10-13-12(14)9-16-17(13)2;/h9,11,15H,3-8,10H2,1-2H3;1H
InChIKeyJWAONGRNCFIWNX-UHFFFAOYSA-N
MW307.27 g/mol
LogP2.32
Rot. Bonds5

About N-[[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride

N-[[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride (PubChem CID 120842456) has the molecular formula C13H24Cl2N4 and a molecular weight of 307.27 g/mol. Its IUPAC name is N-[[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
PubChem CID120842456
Molecular FormulaC13H24Cl2N4
Molecular Weight307.27 g/mol
Exact Mass306.14
IUPAC NameN-[[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(Cc2c(Cl)cnn2C)CC1.Cl
InChIInChI=1S/C13H23ClN4.ClH/c1-3-15-8-11-4-6-18(7-5-11)10-13-12(14)9-16-17(13)2;/h9,11,15H,3-8,10H2,1-2H3;1H
InChIKeyJWAONGRNCFIWNX-UHFFFAOYSA-N
XLogP2.32
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline
CID 54793610
2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
CID 80551519
2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
CID 80550899
3-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride
CID 120845647
1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-phenylpyrrolidin-3-amine
CID 166231151
N-[[1-[(4-bromo-2-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 115741530
N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 104869799
1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
CID 124619404
(3aR,6aS)-5-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120846045
5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631025
N-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120842604
1-[4-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 86804190

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride (CID 120842456) is N-[[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride is CCNCC1CCN(Cc2c(Cl)cnn2C)CC1.Cl.
What is the InChIKey of N-[[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The InChIKey is JWAONGRNCFIWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4.ClH/c1-3-15-8-11-4-6-18(7-5-11)10-13-12(14)9-16-17(13)2;/h9,11,15H,3-8,10H2,1-2H3;1H.
What are the key properties of N-[[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
N-[[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride has a molecular weight of 307.27 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 120842456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).