1-[(2S,3S)-2-methyl-3,4-dihydro-2H-chromen-3-yl]piperidine

C15H21NO — CID 97302014

IUPAC1-[(2S,3S)-2-methyl-3,4-dihydro-2H-chromen-3-yl]piperidine
SMILESC[C@@H]1Oc2ccccc2C[C@@H]1N1CCCCC1
InChIInChI=1S/C15H21NO/c1-12-14(16-9-5-2-6-10-16)11-13-7-3-4-8-15(13)17-12/h3-4,7-8,12,14H,2,5-6,9-11H2,1H3/t12-,14-/m0/s1
InChIKeyUVTDDEOHIXVKQH-JSGCOSHPSA-N
MW231.34 g/mol
LogP2.86
Rot. Bonds1

About 1-[(2S,3S)-2-methyl-3,4-dihydro-2H-chromen-3-yl]piperidine

1-[(2S,3S)-2-methyl-3,4-dihydro-2H-chromen-3-yl]piperidine (PubChem CID 97302014) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[(2S,3S)-2-methyl-3,4-dihydro-2H-chromen-3-yl]piperidine.

Molecular Properties

Compound Name1-[(2S,3S)-2-methyl-3,4-dihydro-2H-chromen-3-yl]piperidine
PubChem CID97302014
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[(2S,3S)-2-methyl-3,4-dihydro-2H-chromen-3-yl]piperidine
SMILESC[C@@H]1Oc2ccccc2C[C@@H]1N1CCCCC1
InChIInChI=1S/C15H21NO/c1-12-14(16-9-5-2-6-10-16)11-13-7-3-4-8-15(13)17-12/h3-4,7-8,12,14H,2,5-6,9-11H2,1H3/t12-,14-/m0/s1
InChIKeyUVTDDEOHIXVKQH-JSGCOSHPSA-N
XLogP2.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2S,3S)-2-methyl-3,4-dihydro-2H-chromen-3-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane
CID 90989077
(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
2-methyl-2,3-dihydro-1-benzofuran;hydrochloride
CID 140983033
ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 91201191
1-(2,3-dihydro-1,4-benzodioxin-3-yl)piperidine
CID 54425684
(2-methyl-3,4-dihydro-2H-chromen-3-yl)methanol
CID 130824833
2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
CID 128935579
(2R,3R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 122181075
1-(3,4-dihydro-2H-chromen-2-yl)-4-methylpiperazine
CID 141009186
azepan-1-yl-[(2S,3S)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 94061459
azepan-1-yl-[(2R,3S)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 94061458

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-2-methyl-3,4-dihydro-2H-chromen-3-yl]piperidine?
The IUPAC name of 1-[(2S,3S)-2-methyl-3,4-dihydro-2H-chromen-3-yl]piperidine (CID 97302014) is 1-[(2S,3S)-2-methyl-3,4-dihydro-2H-chromen-3-yl]piperidine.
What is the SMILES notation for 1-[(2S,3S)-2-methyl-3,4-dihydro-2H-chromen-3-yl]piperidine?
The canonical SMILES for 1-[(2S,3S)-2-methyl-3,4-dihydro-2H-chromen-3-yl]piperidine is C[C@@H]1Oc2ccccc2C[C@@H]1N1CCCCC1.
What is the InChIKey of 1-[(2S,3S)-2-methyl-3,4-dihydro-2H-chromen-3-yl]piperidine?
The InChIKey is UVTDDEOHIXVKQH-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-14(16-9-5-2-6-10-16)11-13-7-3-4-8-15(13)17-12/h3-4,7-8,12,14H,2,5-6,9-11H2,1H3/t12-,14-/m0/s1.
What are the key properties of 1-[(2S,3S)-2-methyl-3,4-dihydro-2H-chromen-3-yl]piperidine?
1-[(2S,3S)-2-methyl-3,4-dihydro-2H-chromen-3-yl]piperidine has a molecular weight of 231.34 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-2-methyl-3,4-dihydro-2H-chromen-3-yl]piperidine is sourced from PubChem (CID 97302014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).