1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine

C16H24Cl2N2 — CID 107310470

IUPAC1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C)CN1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H24Cl2N2/c1-11(2)14-8-19-16(3,4)10-20(14)9-12-6-5-7-13(17)15(12)18/h5-7,11,14,19H,8-10H2,1-4H3
InChIKeyYGBCODZHDDCPDX-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.20
Rot. Bonds3

About 1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine

1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine (PubChem CID 107310470) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine
PubChem CID107310470
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C)CN1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H24Cl2N2/c1-11(2)14-8-19-16(3,4)10-20(14)9-12-6-5-7-13(17)15(12)18/h5-7,11,14,19H,8-10H2,1-4H3
InChIKeyYGBCODZHDDCPDX-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 102862613
1-[(2,3-dichlorophenyl)methyl]-3,3,7-trimethyl-1,4-diazepane
CID 107310541
1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64840082
1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine
CID 102862477
1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64840083
2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine
CID 64839733
1-(3-chloro-2-fluorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64935490
4-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methylpyrimidine
CID 64945782
1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64840273
2-butan-2-yl-1-[(3,4-dichlorophenyl)methyl]-5,5-dimethylpiperazine
CID 64838151
1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine
CID 64877485
5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64877110

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine (CID 107310470) is 1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine is CC(C)C1CNC(C)(C)CN1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine?
The InChIKey is YGBCODZHDDCPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-11(2)14-8-19-16(3,4)10-20(14)9-12-6-5-7-13(17)15(12)18/h5-7,11,14,19H,8-10H2,1-4H3.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine?
1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine has a molecular weight of 315.29 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 107310470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).