(2,3,4,5,6-pentamethylphenyl)-piperidin-2-ylmethanol

C17H27NO — CID 64866585

IUPAC(2,3,4,5,6-pentamethylphenyl)-piperidin-2-ylmethanol
SMILESCc1c(C)c(C)c(C(O)C2CCCCN2)c(C)c1C
InChIInChI=1S/C17H27NO/c1-10-11(2)13(4)16(14(5)12(10)3)17(19)15-8-6-7-9-18-15/h15,17-19H,6-9H2,1-5H3
InChIKeyAJOZLRIFBLCIET-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.40
Rot. Bonds2

About (2,3,4,5,6-pentamethylphenyl)-piperidin-2-ylmethanol

(2,3,4,5,6-pentamethylphenyl)-piperidin-2-ylmethanol (PubChem CID 64866585) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (2,3,4,5,6-pentamethylphenyl)-piperidin-2-ylmethanol.

Molecular Properties

Compound Name(2,3,4,5,6-pentamethylphenyl)-piperidin-2-ylmethanol
PubChem CID64866585
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(2,3,4,5,6-pentamethylphenyl)-piperidin-2-ylmethanol
SMILESCc1c(C)c(C)c(C(O)C2CCCCN2)c(C)c1C
InChIInChI=1S/C17H27NO/c1-10-11(2)13(4)16(14(5)12(10)3)17(19)15-8-6-7-9-18-15/h15,17-19H,6-9H2,1-5H3
InChIKeyAJOZLRIFBLCIET-UHFFFAOYSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(2,3,4,5,6-pentafluorophenyl)-pyrrolidin-2-ylmethanol
CID 142507550
(R)-(2,3,4,5,6-pentafluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 155010567
2-[azepan-2-yl(hydroxy)methyl]phenol
CID 84686926
(2-methoxy-3,5-dimethylphenyl)-piperidin-2-ylmethanol
CID 82341661
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 142507494
(2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanol
CID 64868312
(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654197
[2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol
CID 106634718
(2S)-2-propan-2-ylpiperidine
CID 7022854
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914
azepan-2-yl-(2-methylquinolin-4-yl)methanol
CID 79235774

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentamethylphenyl)-piperidin-2-ylmethanol?
The IUPAC name of (2,3,4,5,6-pentamethylphenyl)-piperidin-2-ylmethanol (CID 64866585) is (2,3,4,5,6-pentamethylphenyl)-piperidin-2-ylmethanol.
What is the SMILES notation for (2,3,4,5,6-pentamethylphenyl)-piperidin-2-ylmethanol?
The canonical SMILES for (2,3,4,5,6-pentamethylphenyl)-piperidin-2-ylmethanol is Cc1c(C)c(C)c(C(O)C2CCCCN2)c(C)c1C.
What is the InChIKey of (2,3,4,5,6-pentamethylphenyl)-piperidin-2-ylmethanol?
The InChIKey is AJOZLRIFBLCIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-10-11(2)13(4)16(14(5)12(10)3)17(19)15-8-6-7-9-18-15/h15,17-19H,6-9H2,1-5H3.
What are the key properties of (2,3,4,5,6-pentamethylphenyl)-piperidin-2-ylmethanol?
(2,3,4,5,6-pentamethylphenyl)-piperidin-2-ylmethanol has a molecular weight of 261.41 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentamethylphenyl)-piperidin-2-ylmethanol is sourced from PubChem (CID 64866585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).