(2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine

C16H25NO — CID 39345713

IUPAC(2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine
SMILESCC(C)COc1ccc(C[C@@H]2CCCCN2)cc1
InChIInChI=1S/C16H25NO/c1-13(2)12-18-16-8-6-14(7-9-16)11-15-5-3-4-10-17-15/h6-9,13,15,17H,3-5,10-12H2,1-2H3/t15-/m0/s1
InChIKeyNQWCJLHKCCWEEO-HNNXBMFYSA-N
MW247.38 g/mol
LogP3.41
Rot. Bonds5

About (2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine

(2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine (PubChem CID 39345713) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine
PubChem CID39345713
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine
SMILESCC(C)COc1ccc(C[C@@H]2CCCCN2)cc1
InChIInChI=1S/C16H25NO/c1-13(2)12-18-16-8-6-14(7-9-16)11-15-5-3-4-10-17-15/h6-9,13,15,17H,3-5,10-12H2,1-2H3/t15-/m0/s1
InChIKeyNQWCJLHKCCWEEO-HNNXBMFYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine
CID 174595091
2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine
CID 117371935
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol
CID 117339227
2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine
CID 82499085
2-[(4-butan-2-ylphenyl)methyl]piperidine
CID 82341703
2-[[4-(thietan-3-yloxy)phenyl]methyl]piperidine
CID 117413830
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
2-[[4-(2-methoxyethyl)phenyl]methyl]piperidine
CID 117339226
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
2-[4-(2-methylpropoxy)phenyl]pyrrolidine
CID 77131626
3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline
CID 106633639

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine?
The IUPAC name of (2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine (CID 39345713) is (2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine.
What is the SMILES notation for (2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine?
The canonical SMILES for (2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine is CC(C)COc1ccc(C[C@@H]2CCCCN2)cc1.
What is the InChIKey of (2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine?
The InChIKey is NQWCJLHKCCWEEO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)12-18-16-8-6-14(7-9-16)11-15-5-3-4-10-17-15/h6-9,13,15,17H,3-5,10-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine?
(2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine is sourced from PubChem (CID 39345713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).