5-methyl-1-(1-phenylpropan-2-yl)-2-propan-2-ylpiperazine

C17H28N2 — CID 64938383

IUPAC5-methyl-1-(1-phenylpropan-2-yl)-2-propan-2-ylpiperazine
SMILESCC1CN(C(C)Cc2ccccc2)C(C(C)C)CN1
InChIInChI=1S/C17H28N2/c1-13(2)17-11-18-14(3)12-19(17)15(4)10-16-8-6-5-7-9-16/h5-9,13-15,17-18H,10-12H2,1-4H3
InChIKeyDPLVUWCNTRKCQV-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.94
Rot. Bonds4

About 5-methyl-1-(1-phenylpropan-2-yl)-2-propan-2-ylpiperazine

5-methyl-1-(1-phenylpropan-2-yl)-2-propan-2-ylpiperazine (PubChem CID 64938383) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 5-methyl-1-(1-phenylpropan-2-yl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-methyl-1-(1-phenylpropan-2-yl)-2-propan-2-ylpiperazine
PubChem CID64938383
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name5-methyl-1-(1-phenylpropan-2-yl)-2-propan-2-ylpiperazine
SMILESCC1CN(C(C)Cc2ccccc2)C(C(C)C)CN1
InChIInChI=1S/C17H28N2/c1-13(2)17-11-18-14(3)12-19(17)15(4)10-16-8-6-5-7-9-16/h5-9,13-15,17-18H,10-12H2,1-4H3
InChIKeyDPLVUWCNTRKCQV-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-propan-2-yl-1-(1-thiophen-3-ylpropan-2-yl)piperazine
CID 64937748
(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine
CID 46705371
1-benzylsulfonyl-5-methyl-2-propan-2-ylpiperazine
CID 82251755
1-benzyl-2-butan-2-yl-5-methylpiperazine
CID 64845112
2-(1-phenylpropan-2-yl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922611
2-ethyl-1-(1-phenylpropan-2-yl)-5-propan-2-ylpiperazine
CID 64937812
5-methyl-1-octan-2-yl-2-propan-2-ylpiperazine
CID 64936589
1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64937367
4-methyl-5-(1-phenylpropan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66212440
3,7-dimethyl-1-(1-phenylpropan-2-yl)-1,5-diazocane
CID 55151237
1-(2-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953891
1-[1-(3-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64937944

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1-phenylpropan-2-yl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-methyl-1-(1-phenylpropan-2-yl)-2-propan-2-ylpiperazine (CID 64938383) is 5-methyl-1-(1-phenylpropan-2-yl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-methyl-1-(1-phenylpropan-2-yl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-methyl-1-(1-phenylpropan-2-yl)-2-propan-2-ylpiperazine is CC1CN(C(C)Cc2ccccc2)C(C(C)C)CN1.
What is the InChIKey of 5-methyl-1-(1-phenylpropan-2-yl)-2-propan-2-ylpiperazine?
The InChIKey is DPLVUWCNTRKCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)17-11-18-14(3)12-19(17)15(4)10-16-8-6-5-7-9-16/h5-9,13-15,17-18H,10-12H2,1-4H3.
What are the key properties of 5-methyl-1-(1-phenylpropan-2-yl)-2-propan-2-ylpiperazine?
5-methyl-1-(1-phenylpropan-2-yl)-2-propan-2-ylpiperazine has a molecular weight of 260.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1-phenylpropan-2-yl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64938383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).