4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine

C16H23NO — CID 116925700

IUPAC4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine
SMILESc1cc2c(cc1CCC1CCNCC1)CCCO2
InChIInChI=1S/C16H23NO/c1-2-15-12-14(5-6-16(15)18-11-1)4-3-13-7-9-17-10-8-13/h5-6,12-13,17H,1-4,7-11H2
InChIKeyBATUPYWJWVZLGS-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.94
Rot. Bonds3

About 4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine

4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine (PubChem CID 116925700) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine
PubChem CID116925700
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine
SMILESc1cc2c(cc1CCC1CCNCC1)CCCO2
InChIInChI=1S/C16H23NO/c1-2-15-12-14(5-6-16(15)18-11-1)4-3-13-7-9-17-10-8-13/h5-6,12-13,17H,1-4,7-11H2
InChIKeyBATUPYWJWVZLGS-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one
CID 116559956
6-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydroquinoline
CID 116997911
2-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 79704796
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine
CID 65443042
3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine
CID 65446309
5-(2-piperidin-4-ylethyl)-2,3-dihydro-1H-indole
CID 116998012
5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran
CID 65443648
1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline
CID 62095616
4-(3,4-dihydro-2H-chromen-6-yloxy)piperidine
CID 28815096
6-(2-piperidin-4-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116925681
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine
CID 117040712
4-(2-naphthalen-2-ylethyl)piperidine
CID 43146715

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine?
The IUPAC name of 4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine (CID 116925700) is 4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine?
The canonical SMILES for 4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine is c1cc2c(cc1CCC1CCNCC1)CCCO2.
What is the InChIKey of 4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine?
The InChIKey is BATUPYWJWVZLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-15-12-14(5-6-16(15)18-11-1)4-3-13-7-9-17-10-8-13/h5-6,12-13,17H,1-4,7-11H2.
What are the key properties of 4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine?
4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine has a molecular weight of 245.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine is sourced from PubChem (CID 116925700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).