(S)-pyridin-2-yl-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol

C27H28N2O — CID 67744575

IUPAC(S)-pyridin-2-yl-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol
SMILESO[C@H](c1ccccn1)C1CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C27H28N2O/c30-26(25-11-5-6-14-28-25)19-12-15-29(16-13-19)18-27-17-22(20-7-1-3-9-23(20)27)21-8-2-4-10-24(21)27/h1-11,14,19,22,26,30H,12-13,15-18H2/t22?,26-,27?/m0/s1
InChIKeyTXHHVHZBNMTCJE-WHIIENQPSA-N
MW396.53 g/mol
LogP4.66
Rot. Bonds4

About (S)-pyridin-2-yl-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol

(S)-pyridin-2-yl-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol (PubChem CID 67744575) has the molecular formula C27H28N2O and a molecular weight of 396.53 g/mol. Its IUPAC name is (S)-pyridin-2-yl-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name(S)-pyridin-2-yl-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol
PubChem CID67744575
Molecular FormulaC27H28N2O
Molecular Weight396.53 g/mol
Exact Mass396.22
IUPAC Name(S)-pyridin-2-yl-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol
SMILESO[C@H](c1ccccn1)C1CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C27H28N2O/c30-26(25-11-5-6-14-28-25)19-12-15-29(16-13-19)18-27-17-22(20-7-1-3-9-23(20)27)21-8-2-4-10-24(21)27/h1-11,14,19,22,26,30H,12-13,15-18H2/t22?,26-,27?/m0/s1
InChIKeyTXHHVHZBNMTCJE-WHIIENQPSA-N
XLogP4.66
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (S)-pyridin-2-yl-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol with MolForge

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Related Compounds

(4-methylphenyl)-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol
CID 19698678
(3-methylphenyl)-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol
CID 19698642
(S)-(1-methylbenzimidazol-2-yl)-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol
CID 67751592
4-pyridin-2-yl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol
CID 21480602
(R)-[1-[[(8R)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 66922921
1-cyclopentyl-3-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]urea
CID 19737306
(R)-[1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 99933667
[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 53193333
(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 99942839
[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 91842140
3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 124750427
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 77091494

Frequently Asked Questions

What is the IUPAC name of (S)-pyridin-2-yl-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol?
The IUPAC name of (S)-pyridin-2-yl-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol (CID 67744575) is (S)-pyridin-2-yl-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for (S)-pyridin-2-yl-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for (S)-pyridin-2-yl-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol is O[C@H](c1ccccn1)C1CCN(CC23CC(c4ccccc42)c2ccccc23)CC1.
What is the InChIKey of (S)-pyridin-2-yl-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol?
The InChIKey is TXHHVHZBNMTCJE-WHIIENQPSA-N. The full InChI is InChI=1S/C27H28N2O/c30-26(25-11-5-6-14-28-25)19-12-15-29(16-13-19)18-27-17-22(20-7-1-3-9-23(20)27)21-8-2-4-10-24(21)27/h1-11,14,19,22,26,30H,12-13,15-18H2/t22?,26-,27?/m0/s1.
What are the key properties of (S)-pyridin-2-yl-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol?
(S)-pyridin-2-yl-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol has a molecular weight of 396.53 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-pyridin-2-yl-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 67744575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).