(1S)-1-[(3R)-1-methylpyrrolidin-3-yl]-3,4-dihydro-2H-naphthalen-1-ol

C15H21NO — CID 125482551

IUPAC(1S)-1-[(3R)-1-methylpyrrolidin-3-yl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESCN1CC[C@@H]([C@@]2(O)CCCc3ccccc32)C1
InChIInChI=1S/C15H21NO/c1-16-10-8-13(11-16)15(17)9-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,13,17H,4,6,8-11H2,1H3/t13-,15+/m1/s1
InChIKeyAAWPKDIOJDKYEX-HIFRSBDPSA-N
MW231.34 g/mol
LogP2.16
Rot. Bonds1

About (1S)-1-[(3R)-1-methylpyrrolidin-3-yl]-3,4-dihydro-2H-naphthalen-1-ol

(1S)-1-[(3R)-1-methylpyrrolidin-3-yl]-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 125482551) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (1S)-1-[(3R)-1-methylpyrrolidin-3-yl]-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name(1S)-1-[(3R)-1-methylpyrrolidin-3-yl]-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID125482551
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(1S)-1-[(3R)-1-methylpyrrolidin-3-yl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESCN1CC[C@@H]([C@@]2(O)CCCc3ccccc32)C1
InChIInChI=1S/C15H21NO/c1-16-10-8-13(11-16)15(17)9-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,13,17H,4,6,8-11H2,1H3/t13-,15+/m1/s1
InChIKeyAAWPKDIOJDKYEX-HIFRSBDPSA-N
XLogP2.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
CID 58951018
7-methoxy-1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 19784338
9-(1-methylpyrrolidin-3-yl)thioxanthen-9-ol
CID 163672707
1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 79899726
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
1-(5,6,7,8-tetrahydroquinolin-8-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 79723609
9-(1-methylpiperidin-4-yl)xanthen-9-ol
CID 14175791
(3R)-3-(hydroxymethyl)-N-[[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]piperidine-1-carboxamide
CID 97334309
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylmorpholine-2-carboxamide
CID 111540494
10b-hydroxy-3-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline-1-carbonitrile
CID 3164170
1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol
CID 12840344
(4aR,7aR)-2-methyl-4a-phenyl-3,4,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridine
CID 12884448

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3R)-1-methylpyrrolidin-3-yl]-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of (1S)-1-[(3R)-1-methylpyrrolidin-3-yl]-3,4-dihydro-2H-naphthalen-1-ol (CID 125482551) is (1S)-1-[(3R)-1-methylpyrrolidin-3-yl]-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for (1S)-1-[(3R)-1-methylpyrrolidin-3-yl]-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for (1S)-1-[(3R)-1-methylpyrrolidin-3-yl]-3,4-dihydro-2H-naphthalen-1-ol is CN1CC[C@@H]([C@@]2(O)CCCc3ccccc32)C1.
What is the InChIKey of (1S)-1-[(3R)-1-methylpyrrolidin-3-yl]-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is AAWPKDIOJDKYEX-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H21NO/c1-16-10-8-13(11-16)15(17)9-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,13,17H,4,6,8-11H2,1H3/t13-,15+/m1/s1.
What are the key properties of (1S)-1-[(3R)-1-methylpyrrolidin-3-yl]-3,4-dihydro-2H-naphthalen-1-ol?
(1S)-1-[(3R)-1-methylpyrrolidin-3-yl]-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 231.34 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3R)-1-methylpyrrolidin-3-yl]-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 125482551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).