1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine

C14H22N2S — CID 82264824

IUPAC1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine
SMILESCC(C)Sc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C14H22N2S/c1-12(2)17-14-5-3-13(4-6-14)11-16-9-7-15-8-10-16/h3-6,12,15H,7-11H2,1-2H3
InChIKeyKFOUWSFPPCBTOS-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.59
Rot. Bonds4

About 1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine

1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine (PubChem CID 82264824) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine
PubChem CID82264824
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine
SMILESCC(C)Sc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C14H22N2S/c1-12(2)17-14-5-3-13(4-6-14)11-16-9-7-15-8-10-16/h3-6,12,15H,7-11H2,1-2H3
InChIKeyKFOUWSFPPCBTOS-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylsulfanylphenyl)methyl]-1,4-diazepane;hydrochloride
CID 119906325
1-[(4-cyclopropylsulfanylphenyl)methyl]piperazine
CID 117374711
4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol
CID 117111640
piperazin-1-yl-(4-propan-2-ylsulfanylphenyl)methanamine
CID 116939801
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine
CID 117368978
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
1,4-bis[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 11328765
1-[2-(3-chloro-4-propan-2-ylsulfanylphenyl)ethyl]piperazine
CID 117481410
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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine (CID 82264824) is 1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine is CC(C)Sc1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine?
The InChIKey is KFOUWSFPPCBTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-12(2)17-14-5-3-13(4-6-14)11-16-9-7-15-8-10-16/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of 1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine?
1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine has a molecular weight of 250.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine is sourced from PubChem (CID 82264824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).