2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride

C18H29Cl2N3O — CID 119838013

IUPAC2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H27N3O.2ClH/c22-18(15-19-14-17-6-7-17)21-12-10-20(11-13-21)9-8-16-4-2-1-3-5-16;;/h1-5,17,19H,6-15H2;2*1H
InChIKeyHICYRQLXWKKFHA-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.22
Rot. Bonds7

About 2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride

2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 119838013) has the molecular formula C18H29Cl2N3O and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride
PubChem CID119838013
Molecular FormulaC18H29Cl2N3O
Molecular Weight374.36 g/mol
Exact Mass373.17
IUPAC Name2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H27N3O.2ClH/c22-18(15-19-14-17-6-7-17)21-12-10-20(11-13-21)9-8-16-4-2-1-3-5-16;;/h1-5,17,19H,6-15H2;2*1H
InChIKeyHICYRQLXWKKFHA-UHFFFAOYSA-N
XLogP2.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride
CID 119826750
1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-4-phenylbutan-1-one
CID 119764304
2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119844580
3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid
CID 61161794
2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119838548
1-[4-(2-phenylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119838033
2-(cyclopropylmethylamino)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119811839
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
4-amino-3-methoxy-1-[4-(2-phenylethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 120594946
2-(cyclopropylmethylamino)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone
CID 119834681
2-(cyclopropylmethylamino)-1-[4-(2-ethoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119843330
2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826997

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride (CID 119838013) is 2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride is Cl.Cl.O=C(CNCC1CC1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is HICYRQLXWKKFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.2ClH/c22-18(15-19-14-17-6-7-17)21-12-10-20(11-13-21)9-8-16-4-2-1-3-5-16;;/h1-5,17,19H,6-15H2;2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride?
2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 374.36 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119838013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).