(2S,4S,5S)-1,2,5-trimethyl-4-[(4-methylphenyl)methyl]piperidin-4-ol

C16H25NO — CID 11871665

IUPAC(2S,4S,5S)-1,2,5-trimethyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
SMILESCc1ccc(C[C@]2(O)C[C@H](C)N(C)C[C@@H]2C)cc1
InChIInChI=1S/C16H25NO/c1-12-5-7-15(8-6-12)10-16(18)9-14(3)17(4)11-13(16)2/h5-8,13-14,18H,9-11H2,1-4H3/t13-,14-,16+/m0/s1
InChIKeyPPFGJYUAWQBXHF-OFQRWUPVSA-N
MW247.38 g/mol
LogP2.63
Rot. Bonds2

About (2S,4S,5S)-1,2,5-trimethyl-4-[(4-methylphenyl)methyl]piperidin-4-ol

(2S,4S,5S)-1,2,5-trimethyl-4-[(4-methylphenyl)methyl]piperidin-4-ol (PubChem CID 11871665) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (2S,4S,5S)-1,2,5-trimethyl-4-[(4-methylphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name(2S,4S,5S)-1,2,5-trimethyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
PubChem CID11871665
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(2S,4S,5S)-1,2,5-trimethyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
SMILESCc1ccc(C[C@]2(O)C[C@H](C)N(C)C[C@@H]2C)cc1
InChIInChI=1S/C16H25NO/c1-12-5-7-15(8-6-12)10-16(18)9-14(3)17(4)11-13(16)2/h5-8,13-14,18H,9-11H2,1-4H3/t13-,14-,16+/m0/s1
InChIKeyPPFGJYUAWQBXHF-OFQRWUPVSA-N
XLogP2.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-1,2,5-trimethyl-4-[(4-methylphenyl)methyl]piperidin-4-ol?
The IUPAC name of (2S,4S,5S)-1,2,5-trimethyl-4-[(4-methylphenyl)methyl]piperidin-4-ol (CID 11871665) is (2S,4S,5S)-1,2,5-trimethyl-4-[(4-methylphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for (2S,4S,5S)-1,2,5-trimethyl-4-[(4-methylphenyl)methyl]piperidin-4-ol?
The canonical SMILES for (2S,4S,5S)-1,2,5-trimethyl-4-[(4-methylphenyl)methyl]piperidin-4-ol is Cc1ccc(C[C@]2(O)C[C@H](C)N(C)C[C@@H]2C)cc1.
What is the InChIKey of (2S,4S,5S)-1,2,5-trimethyl-4-[(4-methylphenyl)methyl]piperidin-4-ol?
The InChIKey is PPFGJYUAWQBXHF-OFQRWUPVSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-5-7-15(8-6-12)10-16(18)9-14(3)17(4)11-13(16)2/h5-8,13-14,18H,9-11H2,1-4H3/t13-,14-,16+/m0/s1.
What are the key properties of (2S,4S,5S)-1,2,5-trimethyl-4-[(4-methylphenyl)methyl]piperidin-4-ol?
(2S,4S,5S)-1,2,5-trimethyl-4-[(4-methylphenyl)methyl]piperidin-4-ol has a molecular weight of 247.38 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-1,2,5-trimethyl-4-[(4-methylphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 11871665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).