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

C17H22N2 — CID 103993932

IUPAC1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(Cc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C17H22N2/c1-17(13-18)7-9-19(10-8-17)12-14-5-6-15-3-2-4-16(15)11-14/h5-6,11H,2-4,7-10,12H2,1H3
InChIKeyKEHWSLZHZBVOIX-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.30
Rot. Bonds2

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

1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine-4-carbonitrile (PubChem CID 103993932) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine-4-carbonitrile
PubChem CID103993932
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(Cc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C17H22N2/c1-17(13-18)7-9-19(10-8-17)12-14-5-6-15-3-2-4-16(15)11-14/h5-6,11H,2-4,7-10,12H2,1H3
InChIKeyKEHWSLZHZBVOIX-UHFFFAOYSA-N
XLogP3.30
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine-4-carbonitrile
CID 103993942
3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpiperazine
CID 64832099
1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclooctane-1-carbonitrile
CID 80601961
2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 143655275
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81107910
1-[(2-bromo-4-fluorophenyl)methyl]-4-methylpiperidine-4-carbonitrile
CID 103994039
1-[(2-cyano-5-fluorophenyl)methyl]-4-methylpiperidine-4-carbonitrile
CID 103994118
(5S)-7-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 97017708
7-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 71928146
1-[[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]methyl]-4-methylpiperidine-4-carbonitrile
CID 97270150
2-[2-[(4-cyano-4-methylpiperidin-1-yl)methyl]phenyl]acetic acid
CID 107160855
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3,5-dimethylpiperazine;hydrochloride
CID 119924052

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine-4-carbonitrile?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine-4-carbonitrile (CID 103993932) is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine-4-carbonitrile is CC1(C#N)CCN(Cc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine-4-carbonitrile?
The InChIKey is KEHWSLZHZBVOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-17(13-18)7-9-19(10-8-17)12-14-5-6-15-3-2-4-16(15)11-14/h5-6,11H,2-4,7-10,12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine-4-carbonitrile?
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine-4-carbonitrile has a molecular weight of 254.38 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 103993932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).