3-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine

C16H23N — CID 106779364

IUPAC3-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine
SMILESCC1CCNCC1Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H23N/c1-12-7-8-17-11-16(12)10-13-5-6-14-3-2-4-15(14)9-13/h5-6,9,12,16-17H,2-4,7-8,10-11H2,1H3
InChIKeyYPCTUUXVHUVTDX-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.96
Rot. Bonds2

About 3-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine

3-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine (PubChem CID 106779364) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine
PubChem CID106779364
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine
SMILESCC1CCNCC1Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H23N/c1-12-7-8-17-11-16(12)10-13-5-6-14-3-2-4-15(14)9-13/h5-6,9,12,16-17H,2-4,7-8,10-11H2,1H3
InChIKeyYPCTUUXVHUVTDX-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 114955865
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-methylpiperazine
CID 116928006
5-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperidine
CID 106779365
2-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylpiperidine
CID 106779340
4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 106778601
N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cycloheptyl]methyl]ethanamine
CID 81027505
1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperazine;hydrochloride
CID 119916469
N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81028379
3-(2,3-dihydro-1H-inden-5-yl)piperidin-4-amine
CID 82614224
1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81033022
1-(2,3-dihydro-1H-inden-5-yl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606081

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine (CID 106779364) is 3-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine is CC1CCNCC1Cc1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine?
The InChIKey is YPCTUUXVHUVTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-12-7-8-17-11-16(12)10-13-5-6-14-3-2-4-15(14)9-13/h5-6,9,12,16-17H,2-4,7-8,10-11H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine?
3-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine has a molecular weight of 229.37 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine is sourced from PubChem (CID 106779364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).