1-(3,4-dihydro-2H-chromen-6-yl)piperazine

C13H18N2O — CID 15485010

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)piperazine
SMILESc1cc2c(cc1N1CCNCC1)CCCO2
InChIInChI=1S/C13H18N2O/c1-2-11-10-12(3-4-13(11)16-9-1)15-7-5-14-6-8-15/h3-4,10,14H,1-2,5-9H2
InChIKeyWVLFSMOGFARRCQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.42
Rot. Bonds1

About 1-(3,4-dihydro-2H-chromen-6-yl)piperazine

1-(3,4-dihydro-2H-chromen-6-yl)piperazine (PubChem CID 15485010) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)piperazine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)piperazine
PubChem CID15485010
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)piperazine
SMILESc1cc2c(cc1N1CCNCC1)CCCO2
InChIInChI=1S/C13H18N2O/c1-2-11-10-12(3-4-13(11)16-9-1)15-7-5-14-6-8-15/h3-4,10,14H,1-2,5-9H2
InChIKeyWVLFSMOGFARRCQ-UHFFFAOYSA-N
XLogP1.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dihydro-2H-1,4-benzodioxepin-7-yl)piperazine
CID 20785253
6-bromo-3,4-dihydro-2H-chromene;tert-butyl 4-(3,4-dihydro-2H-chromen-6-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
CID 158394704
3-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-1-amine
CID 98019621
1-(3-deuterio-3,4-dihydro-2H-chromen-7-yl)piperazine
CID 175818240
N-(piperazin-1-ylmethyl)-3,4-dihydro-2H-chromen-6-amine
CID 115229797
4-methyl-6-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
CID 82231560
7-piperazin-1-yl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 83853200
1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-1,4-diazepane
CID 98781188
1-(1,4-diazepan-1-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 96669750
3,4-dimethyl-7-piperazin-1-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 83853424
1-(3,4-dihydro-2H-chromen-6-yl)-4-[(4-methylphenyl)methyl]piperazine;oxalic acid
CID 18399632
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)piperazine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)piperazine (CID 15485010) is 1-(3,4-dihydro-2H-chromen-6-yl)piperazine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)piperazine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)piperazine is c1cc2c(cc1N1CCNCC1)CCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)piperazine?
The InChIKey is WVLFSMOGFARRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-11-10-12(3-4-13(11)16-9-1)15-7-5-14-6-8-15/h3-4,10,14H,1-2,5-9H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)piperazine?
1-(3,4-dihydro-2H-chromen-6-yl)piperazine has a molecular weight of 218.30 g/mol, XLogP of 1.42, 1 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-chromen-6-yl)piperazine is sourced from PubChem (CID 15485010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).