3-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride

C19H27Cl2N3O — CID 119834694

IUPAC3-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride
SMILESCC(N)CC(=O)N1CCN(Cc2cccc3ccccc23)CC1.Cl.Cl
InChIInChI=1S/C19H25N3O.2ClH/c1-15(20)13-19(23)22-11-9-21(10-12-22)14-17-7-4-6-16-5-2-3-8-18(16)17;;/h2-8,15H,9-14,20H2,1H3;2*1H
InChIKeySBIRSILDMBFQFL-UHFFFAOYSA-N
MW384.35 g/mol
LogP3.06
Rot. Bonds4

About 3-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride

3-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride (PubChem CID 119834694) has the molecular formula C19H27Cl2N3O and a molecular weight of 384.35 g/mol. Its IUPAC name is 3-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride
PubChem CID119834694
Molecular FormulaC19H27Cl2N3O
Molecular Weight384.35 g/mol
Exact Mass383.15
IUPAC Name3-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride
SMILESCC(N)CC(=O)N1CCN(Cc2cccc3ccccc23)CC1.Cl.Cl
InChIInChI=1S/C19H25N3O.2ClH/c1-15(20)13-19(23)22-11-9-21(10-12-22)14-17-7-4-6-16-5-2-3-8-18(16)17;;/h2-8,15H,9-14,20H2,1H3;2*1H
InChIKeySBIRSILDMBFQFL-UHFFFAOYSA-N
XLogP3.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 119834679
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 67588371
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119834691
2-[methyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]amino]propanoic acid
CID 119912970
3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one
CID 119708809
3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119760305
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 9397565
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
2-(cyclopropylmethylamino)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone
CID 119834681
3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 9398051
1-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 9397792

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride?
The IUPAC name of 3-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride (CID 119834694) is 3-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride.
What is the SMILES notation for 3-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride?
The canonical SMILES for 3-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride is CC(N)CC(=O)N1CCN(Cc2cccc3ccccc23)CC1.Cl.Cl.
What is the InChIKey of 3-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride?
The InChIKey is SBIRSILDMBFQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.2ClH/c1-15(20)13-19(23)22-11-9-21(10-12-22)14-17-7-4-6-16-5-2-3-8-18(16)17;;/h2-8,15H,9-14,20H2,1H3;2*1H.
What are the key properties of 3-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride?
3-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride has a molecular weight of 384.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride is sourced from PubChem (CID 119834694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).