1-(3,3-dimethyl-1-phenylbutan-2-yl)piperazine

C16H26N2 — CID 58172183

IUPAC1-(3,3-dimethyl-1-phenylbutan-2-yl)piperazine
SMILESCC(C)(C)C(Cc1ccccc1)N1CCNCC1
InChIInChI=1S/C16H26N2/c1-16(2,3)15(18-11-9-17-10-12-18)13-14-7-5-4-6-8-14/h4-8,15,17H,9-13H2,1-3H3
InChIKeySDGBYVXNUKNZPB-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.55
Rot. Bonds3

About 1-(3,3-dimethyl-1-phenylbutan-2-yl)piperazine

1-(3,3-dimethyl-1-phenylbutan-2-yl)piperazine (PubChem CID 58172183) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(3,3-dimethyl-1-phenylbutan-2-yl)piperazine.

Molecular Properties

Compound Name1-(3,3-dimethyl-1-phenylbutan-2-yl)piperazine
PubChem CID58172183
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(3,3-dimethyl-1-phenylbutan-2-yl)piperazine
SMILESCC(C)(C)C(Cc1ccccc1)N1CCNCC1
InChIInChI=1S/C16H26N2/c1-16(2,3)15(18-11-9-17-10-12-18)13-14-7-5-4-6-8-14/h4-8,15,17H,9-13H2,1-3H3
InChIKeySDGBYVXNUKNZPB-UHFFFAOYSA-N
XLogP2.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-phenylhexan-2-yl)piperazine
CID 67652874
3,3-dimethyl-2-piperazin-1-ylbutan-1-ol
CID 61324971
N-benzyl-4-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]aniline;dihydrochloride
CID 171275095
2,2-dimethyl-3-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120811075
1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine
CID 171293821
(3R)-2,2-dimethyl-3-(4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171190739
N-benzyl-4-[(1R)-1-piperazin-1-ylethyl]aniline
CID 171287688
1-phenyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 21152799
3-phenyl-1-piperazin-1-yl-2-sulfanylpropan-1-one
CID 82511771
1-[(4-ethylphenyl)-phenylmethyl]piperazine
CID 3530514
1-benzylsulfanylpiperazine
CID 143158923
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-1-phenylbutan-2-yl)piperazine?
The IUPAC name of 1-(3,3-dimethyl-1-phenylbutan-2-yl)piperazine (CID 58172183) is 1-(3,3-dimethyl-1-phenylbutan-2-yl)piperazine.
What is the SMILES notation for 1-(3,3-dimethyl-1-phenylbutan-2-yl)piperazine?
The canonical SMILES for 1-(3,3-dimethyl-1-phenylbutan-2-yl)piperazine is CC(C)(C)C(Cc1ccccc1)N1CCNCC1.
What is the InChIKey of 1-(3,3-dimethyl-1-phenylbutan-2-yl)piperazine?
The InChIKey is SDGBYVXNUKNZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,3)15(18-11-9-17-10-12-18)13-14-7-5-4-6-8-14/h4-8,15,17H,9-13H2,1-3H3.
What are the key properties of 1-(3,3-dimethyl-1-phenylbutan-2-yl)piperazine?
1-(3,3-dimethyl-1-phenylbutan-2-yl)piperazine has a molecular weight of 246.40 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-1-phenylbutan-2-yl)piperazine is sourced from PubChem (CID 58172183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).