(S)-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanol

C20H27N3O — CID 124501542

IUPAC(S)-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanol
SMILESCc1cc([C@@H](O)c2ccccc2)cnc1N1CCN(C(C)C)CC1
InChIInChI=1S/C20H27N3O/c1-15(2)22-9-11-23(12-10-22)20-16(3)13-18(14-21-20)19(24)17-7-5-4-6-8-17/h4-8,13-15,19,24H,9-12H2,1-3H3/t19-/m0/s1
InChIKeyITJPNAHIBLNIIA-IBGZPJMESA-N
MW325.46 g/mol
LogP3.00
Rot. Bonds4

About (S)-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanol

(S)-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanol (PubChem CID 124501542) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is (S)-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanol
PubChem CID124501542
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name(S)-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanol
SMILESCc1cc([C@@H](O)c2ccccc2)cnc1N1CCN(C(C)C)CC1
InChIInChI=1S/C20H27N3O/c1-15(2)22-9-11-23(12-10-22)20-16(3)13-18(14-21-20)19(24)17-7-5-4-6-8-17/h4-8,13-15,19,24H,9-12H2,1-3H3/t19-/m0/s1
InChIKeyITJPNAHIBLNIIA-IBGZPJMESA-N
XLogP3.00
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol
CID 124501540
(S)-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]-phenylmethanol
CID 124501657
(1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol
CID 124501485
4-[5-[(1R)-1-hydroxyethyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde
CID 124501524
4-[5-[(S)-amino(phenyl)methyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde
CID 124501535
[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 79885912
(5-methyl-6-methylsulfanyl-3-pyridinyl)-phenylmethanol
CID 102544534
(S)-[5-methyl-6-(methylamino)-3-pyridinyl]-phenylmethanol
CID 124501220
N-[3-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]acetamide
CID 15951459
(1S,2R)-1,2-diphenyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 156874696
[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanone
CID 102545672
2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 43421741

Frequently Asked Questions

What is the IUPAC name of (S)-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanol?
The IUPAC name of (S)-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanol (CID 124501542) is (S)-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanol.
What is the SMILES notation for (S)-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanol?
The canonical SMILES for (S)-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanol is Cc1cc([C@@H](O)c2ccccc2)cnc1N1CCN(C(C)C)CC1.
What is the InChIKey of (S)-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanol?
The InChIKey is ITJPNAHIBLNIIA-IBGZPJMESA-N. The full InChI is InChI=1S/C20H27N3O/c1-15(2)22-9-11-23(12-10-22)20-16(3)13-18(14-21-20)19(24)17-7-5-4-6-8-17/h4-8,13-15,19,24H,9-12H2,1-3H3/t19-/m0/s1.
What are the key properties of (S)-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanol?
(S)-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanol has a molecular weight of 325.46 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanol is sourced from PubChem (CID 124501542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).