1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine

C16H26N2 — CID 117368978

IUPAC1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine
SMILESCC(C)(C)Cc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C16H26N2/c1-16(2,3)12-14-4-6-15(7-5-14)13-18-10-8-17-9-11-18/h4-7,17H,8-13H2,1-3H3
InChIKeyBWSFHBMJBCIWKL-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.68
Rot. Bonds3

About 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine

1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine (PubChem CID 117368978) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine
PubChem CID117368978
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine
SMILESCC(C)(C)Cc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C16H26N2/c1-16(2,3)12-14-4-6-15(7-5-14)13-18-10-8-17-9-11-18/h4-7,17H,8-13H2,1-3H3
InChIKeyBWSFHBMJBCIWKL-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 11328765
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841
propane;1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 177343128
4-(1,4-diazepan-1-ylmethyl)aniline
CID 82162727
azane;1-benzylpiperazine
CID 174866973
dizinc bis(1-[[4-(1,4,10-triaza-7-azanidacyclododec-1-ylmethyl)phenyl]methyl]-1,4,10-triaza-7-azanidacyclododecane)
CID 57372956
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847
1-[(4-ethylphenyl)methyl]-1,4-diazepane;hydrochloride
CID 119906411
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406
1-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 15634377

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine (CID 117368978) is 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine is CC(C)(C)Cc1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine?
The InChIKey is BWSFHBMJBCIWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,3)12-14-4-6-15(7-5-14)13-18-10-8-17-9-11-18/h4-7,17H,8-13H2,1-3H3.
What are the key properties of 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine?
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine has a molecular weight of 246.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine is sourced from PubChem (CID 117368978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).