(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride

C17H27Cl2N3O — CID 119826732

IUPAC(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
SMILESCC1(C(=O)N2CCN(Cc3ccccc3)CC2)CCNC1.Cl.Cl
InChIInChI=1S/C17H25N3O.2ClH/c1-17(7-8-18-14-17)16(21)20-11-9-19(10-12-20)13-15-5-3-2-4-6-15;;/h2-6,18H,7-14H2,1H3;2*1H
InChIKeyKCIAUDHKXBCOPI-UHFFFAOYSA-N
MW360.33 g/mol
LogP2.17
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride

(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride (PubChem CID 119826732) has the molecular formula C17H27Cl2N3O and a molecular weight of 360.33 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
PubChem CID119826732
Molecular FormulaC17H27Cl2N3O
Molecular Weight360.33 g/mol
Exact Mass359.15
IUPAC Name(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
SMILESCC1(C(=O)N2CCN(Cc3ccccc3)CC2)CCNC1.Cl.Cl
InChIInChI=1S/C17H25N3O.2ClH/c1-17(7-8-18-14-17)16(21)20-11-9-19(10-12-20)13-15-5-3-2-4-6-15;;/h2-6,18H,7-14H2,1H3;2*1H
InChIKeyKCIAUDHKXBCOPI-UHFFFAOYSA-N
XLogP2.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 113231360
(4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138776
(3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119947468
[4-(2-chlorophenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
CID 63138572
(4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 63122301
(3-methylpyrrolidin-3-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride
CID 119399484
N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride
CID 119946069
[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
CID 63141362
(3-methylpyrrolidin-3-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 63143419
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 119946201
1-(4-benzylpiperazin-1-yl)-2-chloroethanone;hydrochloride
CID 16806065
(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119399364

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride?
The IUPAC name of (4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride (CID 119826732) is (4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride is CC1(C(=O)N2CCN(Cc3ccccc3)CC2)CCNC1.Cl.Cl.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride?
The InChIKey is KCIAUDHKXBCOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.2ClH/c1-17(7-8-18-14-17)16(21)20-11-9-19(10-12-20)13-15-5-3-2-4-6-15;;/h2-6,18H,7-14H2,1H3;2*1H.
What are the key properties of (4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride?
(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride has a molecular weight of 360.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride is sourced from PubChem (CID 119826732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).