1-(3,4-dihydro-2H-thiochromen-7-ylmethyl)piperazine

C14H20N2S — CID 117374723

IUPAC1-(3,4-dihydro-2H-thiochromen-7-ylmethyl)piperazine
SMILESc1cc2c(cc1CN1CCNCC1)SCCC2
InChIInChI=1S/C14H20N2S/c1-2-13-4-3-12(10-14(13)17-9-1)11-16-7-5-15-6-8-16/h3-4,10,15H,1-2,5-9,11H2
InChIKeyRSVNCGZOYCHDHD-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.13
Rot. Bonds2

About 1-(3,4-dihydro-2H-thiochromen-7-ylmethyl)piperazine

1-(3,4-dihydro-2H-thiochromen-7-ylmethyl)piperazine (PubChem CID 117374723) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-thiochromen-7-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-thiochromen-7-ylmethyl)piperazine
PubChem CID117374723
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name1-(3,4-dihydro-2H-thiochromen-7-ylmethyl)piperazine
SMILESc1cc2c(cc1CN1CCNCC1)SCCC2
InChIInChI=1S/C14H20N2S/c1-2-13-4-3-12(10-14(13)17-9-1)11-16-7-5-15-6-8-16/h3-4,10,15H,1-2,5-9,11H2
InChIKeyRSVNCGZOYCHDHD-UHFFFAOYSA-N
XLogP2.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82263603
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1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841
4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine
CID 43142581
6-(bromomethyl)-3,4-dihydro-2H-thiochromene
CID 116932395
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406
1,2-dimethyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117203229
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
6-(piperazin-1-ylmethyl)-2-propan-2-yl-3H-isoindol-1-one
CID 117436557
N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine
CID 115118884
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CID 117484104

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-thiochromen-7-ylmethyl)piperazine?
The IUPAC name of 1-(3,4-dihydro-2H-thiochromen-7-ylmethyl)piperazine (CID 117374723) is 1-(3,4-dihydro-2H-thiochromen-7-ylmethyl)piperazine.
What is the SMILES notation for 1-(3,4-dihydro-2H-thiochromen-7-ylmethyl)piperazine?
The canonical SMILES for 1-(3,4-dihydro-2H-thiochromen-7-ylmethyl)piperazine is c1cc2c(cc1CN1CCNCC1)SCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-thiochromen-7-ylmethyl)piperazine?
The InChIKey is RSVNCGZOYCHDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-2-13-4-3-12(10-14(13)17-9-1)11-16-7-5-15-6-8-16/h3-4,10,15H,1-2,5-9,11H2.
What are the key properties of 1-(3,4-dihydro-2H-thiochromen-7-ylmethyl)piperazine?
1-(3,4-dihydro-2H-thiochromen-7-ylmethyl)piperazine has a molecular weight of 248.39 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-thiochromen-7-ylmethyl)piperazine is sourced from PubChem (CID 117374723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).