(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol

C15H21NO — CID 107226173

IUPAC(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol
SMILESO[C@H]1CCCN(Cc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C15H21NO/c17-15-5-2-8-16(11-15)10-12-6-7-13-3-1-4-14(13)9-12/h6-7,9,15,17H,1-5,8,10-11H2/t15-/m0/s1
InChIKeyNWODLHAAAMLFPC-HNNXBMFYSA-N
MW231.34 g/mol
LogP2.13
Rot. Bonds2

About (3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol

(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol (PubChem CID 107226173) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol
PubChem CID107226173
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol
SMILESO[C@H]1CCCN(Cc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C15H21NO/c17-15-5-2-8-16(11-15)10-12-6-7-13-3-1-4-14(13)9-12/h6-7,9,15,17H,1-5,8,10-11H2/t15-/m0/s1
InChIKeyNWODLHAAAMLFPC-HNNXBMFYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrolidine
CID 80676340
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
methyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate
CID 78966837
(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol
CID 107225646
1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol
CID 115903800
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
1-[[6-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]pyrrolidin-3-ol
CID 69193657
4-[(3-hydroxypiperidin-1-yl)methyl]benzenecarbothioamide
CID 61434501
1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol
CID 46739874
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81107910
(3R)-1-benzylazepan-3-ol
CID 124585423
1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol
CID 110904761

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol?
The IUPAC name of (3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol (CID 107226173) is (3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol is O[C@H]1CCCN(Cc2ccc3c(c2)CCC3)C1.
What is the InChIKey of (3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol?
The InChIKey is NWODLHAAAMLFPC-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21NO/c17-15-5-2-8-16(11-15)10-12-6-7-13-3-1-4-14(13)9-12/h6-7,9,15,17H,1-5,8,10-11H2/t15-/m0/s1.
What are the key properties of (3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol?
(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol has a molecular weight of 231.34 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 107226173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).