(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol

C20H29NO2 — CID 70712610

IUPAC(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
SMILESC[C@@H]1CN(C2Cc3ccccc3C2)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C20H29NO2/c1-15-14-21(19-12-16-4-2-3-5-17(16)13-19)9-8-20(15,22)18-6-10-23-11-7-18/h2-5,15,18-19,22H,6-14H2,1H3/t15-,20+/m1/s1
InChIKeyXETVPISYCNZDRE-QRWLVFNGSA-N
MW315.46 g/mol
LogP2.65
Rot. Bonds2

About (3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol

(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol (PubChem CID 70712610) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is (3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
PubChem CID70712610
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
SMILESC[C@@H]1CN(C2Cc3ccccc3C2)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C20H29NO2/c1-15-14-21(19-12-16-4-2-3-5-17(16)13-19)9-8-20(15,22)18-6-10-23-11-7-18/h2-5,15,18-19,22H,6-14H2,1H3/t15-,20+/m1/s1
InChIKeyXETVPISYCNZDRE-QRWLVFNGSA-N
XLogP2.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol with MolForge

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Related Compounds

(1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methanol
CID 24071864
1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-ol
CID 30982880
(1R*,3S*)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 72884205
(1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl)methanol
CID 92130772
(3R*,4R*)-1-[(2E)-3-(4-fluorophenyl)-2-propen-1-yl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72873705
(3R,4R)-1-[3-(4-fluorophenyl)prop-2-enyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 91940278
N-{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}-N-(2-methoxyethyl)tetrahydro-2H-pyran-4-amine
CID 45244656
1-[2-(oxan-2-yl)-2,3-dihydro-1H-inden-1-yl]piperidine
CID 91156879
(3R)-8-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]-3-ethyl-1-oxa-8-azaspiro[4.5]decane
CID 134243134
(3R)-8-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-3-ethyl-1-oxa-8-azaspiro[4.5]decane
CID 134243137
1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-ethoxy-4-ethylpiperidine
CID 142283404
1-(2,3-dihydro-1H-inden-2-ylmethyl)-2-methylpiperidin-4-ol
CID 155302659

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The IUPAC name of (3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol (CID 70712610) is (3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol is C[C@@H]1CN(C2Cc3ccccc3C2)CC[C@@]1(O)C1CCOCC1.
What is the InChIKey of (3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The InChIKey is XETVPISYCNZDRE-QRWLVFNGSA-N. The full InChI is InChI=1S/C20H29NO2/c1-15-14-21(19-12-16-4-2-3-5-17(16)13-19)9-8-20(15,22)18-6-10-23-11-7-18/h2-5,15,18-19,22H,6-14H2,1H3/t15-,20+/m1/s1.
What are the key properties of (3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol has a molecular weight of 315.46 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol is sourced from PubChem (CID 70712610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).