1-[(2S,5S)-5-(2-methylphenoxy)hexan-2-yl]piperidine

C18H29NO — CID 7460526

IUPAC1-[(2S,5S)-5-(2-methylphenoxy)hexan-2-yl]piperidine
SMILESCc1ccccc1O[C@@H](C)CC[C@H](C)N1CCCCC1
InChIInChI=1S/C18H29NO/c1-15-9-5-6-10-18(15)20-17(3)12-11-16(2)19-13-7-4-8-14-19/h5-6,9-10,16-17H,4,7-8,11-14H2,1-3H3/t16-,17-/m0/s1
InChIKeyJKCBNKAMCPUOFC-IRXDYDNUSA-N
MW275.44 g/mol
LogP4.42
Rot. Bonds6

About 1-[(2S,5S)-5-(2-methylphenoxy)hexan-2-yl]piperidine

1-[(2S,5S)-5-(2-methylphenoxy)hexan-2-yl]piperidine (PubChem CID 7460526) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[(2S,5S)-5-(2-methylphenoxy)hexan-2-yl]piperidine.

Molecular Properties

Compound Name1-[(2S,5S)-5-(2-methylphenoxy)hexan-2-yl]piperidine
PubChem CID7460526
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[(2S,5S)-5-(2-methylphenoxy)hexan-2-yl]piperidine
SMILESCc1ccccc1O[C@@H](C)CC[C@H](C)N1CCCCC1
InChIInChI=1S/C18H29NO/c1-15-9-5-6-10-18(15)20-17(3)12-11-16(2)19-13-7-4-8-14-19/h5-6,9-10,16-17H,4,7-8,11-14H2,1-3H3/t16-,17-/m0/s1
InChIKeyJKCBNKAMCPUOFC-IRXDYDNUSA-N
XLogP4.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5S)-N-butyl-5-(2-methylphenoxy)hexan-2-amine
CID 2262235
(2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one
CID 93488066
4-(2-methylphenoxy)pentan-2-amine
CID 64707496
2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111686957
2-(2-methylphenoxy)propylhydrazine
CID 82280822
N-tert-butyl-4-(2-methylphenoxy)pentan-1-amine
CID 55076647
1-(1-phenylpropan-2-yl)piperidine
CID 11321650
1-amino-4-(2-methylphenoxy)pentan-2-one
CID 82395635
(3R)-3-hydroxy-N-[2-(2-methylphenoxy)propyl]piperidine-1-carboxamide
CID 167822127
3-(azepan-1-yl)-N-benzylbutan-1-amine
CID 91402380
1-methyl-2-[(2S)-1-(trifluoromethoxy)propan-2-yl]oxybenzene
CID 155904142
1-(1-iodoethoxy)-2-methylbenzene
CID 135136268

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5S)-5-(2-methylphenoxy)hexan-2-yl]piperidine?
The IUPAC name of 1-[(2S,5S)-5-(2-methylphenoxy)hexan-2-yl]piperidine (CID 7460526) is 1-[(2S,5S)-5-(2-methylphenoxy)hexan-2-yl]piperidine.
What is the SMILES notation for 1-[(2S,5S)-5-(2-methylphenoxy)hexan-2-yl]piperidine?
The canonical SMILES for 1-[(2S,5S)-5-(2-methylphenoxy)hexan-2-yl]piperidine is Cc1ccccc1O[C@@H](C)CC[C@H](C)N1CCCCC1.
What is the InChIKey of 1-[(2S,5S)-5-(2-methylphenoxy)hexan-2-yl]piperidine?
The InChIKey is JKCBNKAMCPUOFC-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H29NO/c1-15-9-5-6-10-18(15)20-17(3)12-11-16(2)19-13-7-4-8-14-19/h5-6,9-10,16-17H,4,7-8,11-14H2,1-3H3/t16-,17-/m0/s1.
What are the key properties of 1-[(2S,5S)-5-(2-methylphenoxy)hexan-2-yl]piperidine?
1-[(2S,5S)-5-(2-methylphenoxy)hexan-2-yl]piperidine has a molecular weight of 275.44 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5S)-5-(2-methylphenoxy)hexan-2-yl]piperidine is sourced from PubChem (CID 7460526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).