2-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-phenylethanol

C30H35N3O — CID 134329257

IUPAC2-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-phenylethanol
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(CC(O)c5ccccc5)CC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C30H35N3O/c1-20(2)29-26-18-24(9-10-27(26)32-30(29)25-11-14-31-21(3)17-25)22-12-15-33(16-13-22)19-28(34)23-7-5-4-6-8-23/h4-11,14,17-18,20,22,28,32,34H,12-13,15-16,19H2,1-3H3
InChIKeySMPUMXPIGDHNFG-UHFFFAOYSA-N
MW453.63 g/mol
LogP6.57
Rot. Bonds6

About 2-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-phenylethanol

2-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-phenylethanol (PubChem CID 134329257) has the molecular formula C30H35N3O and a molecular weight of 453.63 g/mol. Its IUPAC name is 2-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-phenylethanol
PubChem CID134329257
Molecular FormulaC30H35N3O
Molecular Weight453.63 g/mol
Exact Mass453.28
IUPAC Name2-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-phenylethanol
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(CC(O)c5ccccc5)CC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C30H35N3O/c1-20(2)29-26-18-24(9-10-27(26)32-30(29)25-11-14-31-21(3)17-25)22-12-15-33(16-13-22)19-28(34)23-7-5-4-6-8-23/h4-11,14,17-18,20,22,28,32,34H,12-13,15-16,19H2,1-3H3
InChIKeySMPUMXPIGDHNFG-UHFFFAOYSA-N
XLogP6.57
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-phenylethanol (CID 134329257) is 2-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-phenylethanol is Cc1cc(-c2[nH]c3ccc(C4CCN(CC(O)c5ccccc5)CC4)cc3c2C(C)C)ccn1.
What is the InChIKey of 2-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-phenylethanol?
The InChIKey is SMPUMXPIGDHNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O/c1-20(2)29-26-18-24(9-10-27(26)32-30(29)25-11-14-31-21(3)17-25)22-12-15-33(16-13-22)19-28(34)23-7-5-4-6-8-23/h4-11,14,17-18,20,22,28,32,34H,12-13,15-16,19H2,1-3H3.
What are the key properties of 2-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-phenylethanol?
2-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-phenylethanol has a molecular weight of 453.63 g/mol, XLogP of 6.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-phenylethanol is sourced from PubChem (CID 134329257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).