(3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine

C15H21NO — CID 42427116

IUPAC(3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine
SMILESc1cc2c(cc1OC[C@H]1CCCNC1)CCC2
InChIInChI=1S/C15H21NO/c1-4-13-6-7-15(9-14(13)5-1)17-11-12-3-2-8-16-10-12/h6-7,9,12,16H,1-5,8,10-11H2/t12-/m0/s1
InChIKeyBAQCDSXHWXTGLW-LBPRGKRZSA-N
MW231.34 g/mol
LogP2.55
Rot. Bonds3

About (3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine

(3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine (PubChem CID 42427116) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine.

Molecular Properties

Compound Name(3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine
PubChem CID42427116
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine
SMILESc1cc2c(cc1OC[C@H]1CCCNC1)CCC2
InChIInChI=1S/C15H21NO/c1-4-13-6-7-15(9-14(13)5-1)17-11-12-3-2-8-16-10-12/h6-7,9,12,16H,1-5,8,10-11H2/t12-/m0/s1
InChIKeyBAQCDSXHWXTGLW-LBPRGKRZSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 26190856
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
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CID 115076478
6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076292
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine
CID 28750104
3-[(4-bromo-3-fluorophenoxy)methyl]piperidine
CID 65203857
(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571
3-[(4-bromo-3-methylphenoxy)methyl]piperidine;hydrochloride
CID 56830761

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine?
The IUPAC name of (3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine (CID 42427116) is (3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine.
What is the SMILES notation for (3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine?
The canonical SMILES for (3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine is c1cc2c(cc1OC[C@H]1CCCNC1)CCC2.
What is the InChIKey of (3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine?
The InChIKey is BAQCDSXHWXTGLW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-13-6-7-15(9-14(13)5-1)17-11-12-3-2-8-16-10-12/h6-7,9,12,16H,1-5,8,10-11H2/t12-/m0/s1.
What are the key properties of (3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine?
(3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine has a molecular weight of 231.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine is sourced from PubChem (CID 42427116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).