4-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine

C22H27ClN2 — CID 10247592

IUPAC4-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine
SMILESCN1CCN(C2CC(c3ccccc3)c3ccc(Cl)cc32)CC1(C)C
InChIInChI=1S/C22H27ClN2/c1-22(2)15-25(12-11-24(22)3)21-14-19(16-7-5-4-6-8-16)18-10-9-17(23)13-20(18)21/h4-10,13,19,21H,11-12,14-15H2,1-3H3
InChIKeyBYPMJBXPNZMNQD-UHFFFAOYSA-N
MW354.93 g/mol
LogP4.94
Rot. Bonds2

About 4-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine

4-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine (PubChem CID 10247592) has the molecular formula C22H27ClN2 and a molecular weight of 354.93 g/mol. Its IUPAC name is 4-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine.

Molecular Properties

Compound Name4-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine
PubChem CID10247592
Molecular FormulaC22H27ClN2
Molecular Weight354.93 g/mol
Exact Mass354.19
IUPAC Name4-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine
SMILESCN1CCN(C2CC(c3ccccc3)c3ccc(Cl)cc32)CC1(C)C
InChIInChI=1S/C22H27ClN2/c1-22(2)15-25(12-11-24(22)3)21-14-19(16-7-5-4-6-8-16)18-10-9-17(23)13-20(18)21/h4-10,13,19,21H,11-12,14-15H2,1-3H3
InChIKeyBYPMJBXPNZMNQD-UHFFFAOYSA-N
XLogP4.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.93
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorcyclizine
CID 2710
Chlorcyclizine Hydrochloride
CID 62413
Zicronapine
CID 11465618
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-dimethyl-amine
CID 9796539
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-ethyl-amine;chloride
CID 9884474
4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10522247
2-{9-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-6,9-diaza-spiro[4.5]dec-6-yl}-ethanol
CID 10574585
2-{4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-2,2-dimethyl-piperazin-1-yl}-ethanol
CID 10787324
4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10809333
9-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-6-methyl-6,9-diaza-spiro[4.5]decane
CID 10810927
8-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-5-methyl-5,8-diaza-spiro[3.5]nonane
CID 11794473
4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1-isopropyl-2,2-dimethyl-piperazine
CID 11795296

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine?
The IUPAC name of 4-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine (CID 10247592) is 4-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine.
What is the SMILES notation for 4-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine?
The canonical SMILES for 4-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine is CN1CCN(C2CC(c3ccccc3)c3ccc(Cl)cc32)CC1(C)C.
What is the InChIKey of 4-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine?
The InChIKey is BYPMJBXPNZMNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2/c1-22(2)15-25(12-11-24(22)3)21-14-19(16-7-5-4-6-8-16)18-10-9-17(23)13-20(18)21/h4-10,13,19,21H,11-12,14-15H2,1-3H3.
What are the key properties of 4-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine?
4-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine has a molecular weight of 354.93 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine is sourced from PubChem (CID 10247592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).