[(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-1-ylmethanol

C32H29NO — CID 53235722

IUPAC[(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-1-ylmethanol
SMILESOC(c1cccc2ccccc12)(c1cccc2ccccc12)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C32H29NO/c34-32(29-19-8-15-25-13-4-6-17-27(25)29,30-20-9-16-26-14-5-7-18-28(26)30)31-21-10-22-33(31)23-24-11-2-1-3-12-24/h1-9,11-20,31,34H,10,21-23H2/t31-/m0/s1
InChIKeyNPZLRMJBRBJDFC-HKBQPEDESA-N
MW443.59 g/mol
LogP6.89
Rot. Bonds5

About [(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-1-ylmethanol

[(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-1-ylmethanol (PubChem CID 53235722) has the molecular formula C32H29NO and a molecular weight of 443.59 g/mol. Its IUPAC name is [(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-1-ylmethanol.

Molecular Properties

Compound Name[(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-1-ylmethanol
PubChem CID53235722
Molecular FormulaC32H29NO
Molecular Weight443.59 g/mol
Exact Mass443.22
IUPAC Name[(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-1-ylmethanol
SMILESOC(c1cccc2ccccc12)(c1cccc2ccccc12)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C32H29NO/c34-32(29-19-8-15-25-13-4-6-17-27(25)29,30-20-9-16-26-14-5-7-18-28(26)30)31-21-10-22-33(31)23-24-11-2-1-3-12-24/h1-9,11-20,31,34H,10,21-23H2/t31-/m0/s1
InChIKeyNPZLRMJBRBJDFC-HKBQPEDESA-N
XLogP6.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[hydroxy(dinaphthalen-1-yl)methyl]-6-[[(2S)-2-[hydroxy(dinaphthalen-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-methylphenol
CID 155921220
[(2R)-1-benzylazetidin-2-yl]-diphenylmethanol
CID 12035662
lithium [(2S)-1-benzylpyrrolidin-2-yl]-diphenylmethanolate
CID 102371983
2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol
CID 83982308
2-[(2S)-1-benzylpyrrolidin-2-yl]-3-ethoxybut-3-en-2-ol
CID 15720197
2,6-bis[[(2R)-2-[hydroxy-bis(2-phenylphenyl)methyl]pyrrolidin-1-yl]methyl]-4-methylphenol
CID 101203421
1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine
CID 10563534
2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol
CID 110009559
dinaphthalen-2-yl-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 11419413
2-[[2-[hydroxy-bis[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]methyl]-6-(trifluoromethyl)phenol
CID 155896652
(1-benzylpyrrolidin-2-yl)methanediol;hydrochloride
CID 22235333
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-1-ylmethanol?
The IUPAC name of [(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-1-ylmethanol (CID 53235722) is [(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-1-ylmethanol.
What is the SMILES notation for [(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-1-ylmethanol?
The canonical SMILES for [(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-1-ylmethanol is OC(c1cccc2ccccc12)(c1cccc2ccccc12)[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of [(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-1-ylmethanol?
The InChIKey is NPZLRMJBRBJDFC-HKBQPEDESA-N. The full InChI is InChI=1S/C32H29NO/c34-32(29-19-8-15-25-13-4-6-17-27(25)29,30-20-9-16-26-14-5-7-18-28(26)30)31-21-10-22-33(31)23-24-11-2-1-3-12-24/h1-9,11-20,31,34H,10,21-23H2/t31-/m0/s1.
What are the key properties of [(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-1-ylmethanol?
[(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-1-ylmethanol has a molecular weight of 443.59 g/mol, XLogP of 6.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-1-ylmethanol is sourced from PubChem (CID 53235722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).