(3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine

C16H25NO — CID 95458543

IUPAC(3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine
SMILESCC(C)(C)Oc1ccc(C[C@@H]2CCCNC2)cc1
InChIInChI=1S/C16H25NO/c1-16(2,3)18-15-8-6-13(7-9-15)11-14-5-4-10-17-12-14/h6-9,14,17H,4-5,10-12H2,1-3H3/t14-/m0/s1
InChIKeyAGGPWEBHKVKTLP-AWEZNQCLSA-N
MW247.38 g/mol
LogP3.41
Rot. Bonds3

About (3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine

(3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine (PubChem CID 95458543) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine
PubChem CID95458543
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine
SMILESCC(C)(C)Oc1ccc(C[C@@H]2CCCNC2)cc1
InChIInChI=1S/C16H25NO/c1-16(2,3)18-15-8-6-13(7-9-15)11-14-5-4-10-17-12-14/h6-9,14,17H,4-5,10-12H2,1-3H3/t14-/m0/s1
InChIKeyAGGPWEBHKVKTLP-AWEZNQCLSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze (3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine
CID 66524896
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
4-[[(3R)-piperidin-3-yl]methyl]benzonitrile
CID 93078230
4-(piperidin-3-ylmethyl)benzonitrile
CID 45074435
3-[(4-cyclobutylphenyl)methyl]piperidine
CID 84793090
N,N-diethyl-4-(piperidin-3-ylmethyl)aniline
CID 117368943
3-[(4-ethylsulfanylphenyl)methyl]piperidine
CID 82496706
methyl 4-(piperidin-3-ylmethyl)benzoate
CID 45074031
[4-(azepan-3-ylmethyl)phenyl]methanol
CID 104680736
4-(azepan-3-ylmethyl)aniline
CID 131866248
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine?
The IUPAC name of (3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine (CID 95458543) is (3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine.
What is the SMILES notation for (3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine?
The canonical SMILES for (3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine is CC(C)(C)Oc1ccc(C[C@@H]2CCCNC2)cc1.
What is the InChIKey of (3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine?
The InChIKey is AGGPWEBHKVKTLP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,3)18-15-8-6-13(7-9-15)11-14-5-4-10-17-12-14/h6-9,14,17H,4-5,10-12H2,1-3H3/t14-/m0/s1.
What are the key properties of (3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine?
(3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine is sourced from PubChem (CID 95458543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).