1-[(S)-phenyl-[(2S)-2-phenylpyrrolidin-1-yl]methyl]naphthalen-2-ol

C27H25NO — CID 139192853

IUPAC1-[(S)-phenyl-[(2S)-2-phenylpyrrolidin-1-yl]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1[C@H](c1ccccc1)N1CCC[C@H]1c1ccccc1
InChIInChI=1S/C27H25NO/c29-25-18-17-20-10-7-8-15-23(20)26(25)27(22-13-5-2-6-14-22)28-19-9-16-24(28)21-11-3-1-4-12-21/h1-8,10-15,17-18,24,27,29H,9,16,19H2/t24-,27-/m0/s1
InChIKeyYRYDWEVRNQEXFM-IGKIAQTJSA-N
MW379.50 g/mol
LogP6.47
Rot. Bonds4

About 1-[(S)-phenyl-[(2S)-2-phenylpyrrolidin-1-yl]methyl]naphthalen-2-ol

1-[(S)-phenyl-[(2S)-2-phenylpyrrolidin-1-yl]methyl]naphthalen-2-ol (PubChem CID 139192853) has the molecular formula C27H25NO and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[(S)-phenyl-[(2S)-2-phenylpyrrolidin-1-yl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(S)-phenyl-[(2S)-2-phenylpyrrolidin-1-yl]methyl]naphthalen-2-ol
PubChem CID139192853
Molecular FormulaC27H25NO
Molecular Weight379.50 g/mol
Exact Mass379.19
IUPAC Name1-[(S)-phenyl-[(2S)-2-phenylpyrrolidin-1-yl]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1[C@H](c1ccccc1)N1CCC[C@H]1c1ccccc1
InChIInChI=1S/C27H25NO/c29-25-18-17-20-10-7-8-15-23(20)26(25)27(22-13-5-2-6-14-22)28-19-9-16-24(28)21-11-3-1-4-12-21/h1-8,10-15,17-18,24,27,29H,9,16,19H2/t24-,27-/m0/s1
InChIKeyYRYDWEVRNQEXFM-IGKIAQTJSA-N
XLogP6.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-[(2S)-2-but-3-enylpiperidin-1-yl]-phenylmethyl]naphthalen-2-ol
CID 45276682
1-[(R)-[(2R)-2-oct-7-enylpiperidin-1-yl]-phenylmethyl]naphthalen-2-ol
CID 45276683
1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol
CID 747708
4-[1-(2-phenylpyrrolidin-1-yl)propyl]phenol
CID 82959518
1-[(S)-[(2R,5S)-2-ethenyl-5-prop-2-enylpyrrolidin-1-yl]-phenylmethyl]naphthalen-2-ol
CID 53242721
1-[(S)-[(2S,6R)-2-methyl-6-undecylpiperidin-1-yl]-phenylmethyl]naphthalen-2-ol
CID 11271693
1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol
CID 45378573
4-[(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethyl]benzonitrile
CID 91273590
1-[(R)-amino(phenyl)methyl]naphthalen-2-ol
CID 6935961
1-[(S)-amino(cyclobutyl)methyl]naphthalen-2-ol
CID 171232064
1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
CID 139082928
1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol
CID 135025792

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-phenyl-[(2S)-2-phenylpyrrolidin-1-yl]methyl]naphthalen-2-ol?
The IUPAC name of 1-[(S)-phenyl-[(2S)-2-phenylpyrrolidin-1-yl]methyl]naphthalen-2-ol (CID 139192853) is 1-[(S)-phenyl-[(2S)-2-phenylpyrrolidin-1-yl]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(S)-phenyl-[(2S)-2-phenylpyrrolidin-1-yl]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(S)-phenyl-[(2S)-2-phenylpyrrolidin-1-yl]methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1[C@H](c1ccccc1)N1CCC[C@H]1c1ccccc1.
What is the InChIKey of 1-[(S)-phenyl-[(2S)-2-phenylpyrrolidin-1-yl]methyl]naphthalen-2-ol?
The InChIKey is YRYDWEVRNQEXFM-IGKIAQTJSA-N. The full InChI is InChI=1S/C27H25NO/c29-25-18-17-20-10-7-8-15-23(20)26(25)27(22-13-5-2-6-14-22)28-19-9-16-24(28)21-11-3-1-4-12-21/h1-8,10-15,17-18,24,27,29H,9,16,19H2/t24-,27-/m0/s1.
What are the key properties of 1-[(S)-phenyl-[(2S)-2-phenylpyrrolidin-1-yl]methyl]naphthalen-2-ol?
1-[(S)-phenyl-[(2S)-2-phenylpyrrolidin-1-yl]methyl]naphthalen-2-ol has a molecular weight of 379.50 g/mol, XLogP of 6.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-phenyl-[(2S)-2-phenylpyrrolidin-1-yl]methyl]naphthalen-2-ol is sourced from PubChem (CID 139192853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).