2-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride

C18H27Cl2N3O2 — CID 120835879

IUPAC2-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)Cc1cc(Cl)ccc1OCC1CC1.Cl
InChIInChI=1S/C18H26ClN3O2.ClH/c1-21(12-18(23)22-8-6-20-7-9-22)11-15-10-16(19)4-5-17(15)24-13-14-2-3-14;/h4-5,10,14,20H,2-3,6-9,11-13H2,1H3;1H
InChIKeyAWUFKJUSSLFGAC-UHFFFAOYSA-N
MW388.34 g/mol
LogP2.41
Rot. Bonds7

About 2-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride

2-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 120835879) has the molecular formula C18H27Cl2N3O2 and a molecular weight of 388.34 g/mol. Its IUPAC name is 2-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
PubChem CID120835879
Molecular FormulaC18H27Cl2N3O2
Molecular Weight388.34 g/mol
Exact Mass387.15
IUPAC Name2-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)Cc1cc(Cl)ccc1OCC1CC1.Cl
InChIInChI=1S/C18H26ClN3O2.ClH/c1-21(12-18(23)22-8-6-20-7-9-22)11-15-10-16(19)4-5-17(15)24-13-14-2-3-14;/h4-5,10,14,20H,2-3,6-9,11-13H2,1H3;1H
InChIKeyAWUFKJUSSLFGAC-UHFFFAOYSA-N
XLogP2.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride with MolForge

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Related Compounds

2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915440
1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine
CID 117450901
4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830862
4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933257
2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61018400
2-[2-(3-chlorophenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915397
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 9137227
3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 55085396
2-[(2-amino-4-chlorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 62102227
2-[(2-chloro-4-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62470919
4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane
CID 143666320
2-[(2-ethyl-4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 120836001

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride (CID 120835879) is 2-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride is CN(CC(=O)N1CCNCC1)Cc1cc(Cl)ccc1OCC1CC1.Cl.
What is the InChIKey of 2-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is AWUFKJUSSLFGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2.ClH/c1-21(12-18(23)22-8-6-20-7-9-22)11-15-10-16(19)4-5-17(15)24-13-14-2-3-14;/h4-5,10,14,20H,2-3,6-9,11-13H2,1H3;1H.
What are the key properties of 2-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
2-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride has a molecular weight of 388.34 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 120835879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).