(3S)-3-[(4-phenylphenoxy)methyl]piperidine

C18H21NO — CID 42427138

IUPAC(3S)-3-[(4-phenylphenoxy)methyl]piperidine
SMILESc1ccc(-c2ccc(OC[C@H]3CCCNC3)cc2)cc1
InChIInChI=1S/C18H21NO/c1-2-6-16(7-3-1)17-8-10-18(11-9-17)20-14-15-5-4-12-19-13-15/h1-3,6-11,15,19H,4-5,12-14H2/t15-/m0/s1
InChIKeyMDVRKAYQQIZQKM-HNNXBMFYSA-N
MW267.37 g/mol
LogP3.73
Rot. Bonds4

About (3S)-3-[(4-phenylphenoxy)methyl]piperidine

(3S)-3-[(4-phenylphenoxy)methyl]piperidine (PubChem CID 42427138) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (3S)-3-[(4-phenylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[(4-phenylphenoxy)methyl]piperidine
PubChem CID42427138
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(3S)-3-[(4-phenylphenoxy)methyl]piperidine
SMILESc1ccc(-c2ccc(OC[C@H]3CCCNC3)cc2)cc1
InChIInChI=1S/C18H21NO/c1-2-6-16(7-3-1)17-8-10-18(11-9-17)20-14-15-5-4-12-19-13-15/h1-3,6-11,15,19H,4-5,12-14H2/t15-/m0/s1
InChIKeyMDVRKAYQQIZQKM-HNNXBMFYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(phenoxymethyl)piperidine
CID 26190643
3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine
CID 58992633
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
(3R)-3-[(2-phenylphenoxy)methyl]piperidine
CID 26190683
(3R)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190858
(3S)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190856
1-(cyclohexylmethoxy)-4-phenylbenzene
CID 59950067
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
(3R)-3-[(2-bromo-4-phenylphenoxy)methyl]piperidine
CID 86322131
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
2-[4-(piperidin-3-ylmethoxy)phenyl]ethanol
CID 103694745
3-[[(3S)-piperidin-3-yl]methoxy]benzonitrile
CID 93481139

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-phenylphenoxy)methyl]piperidine?
The IUPAC name of (3S)-3-[(4-phenylphenoxy)methyl]piperidine (CID 42427138) is (3S)-3-[(4-phenylphenoxy)methyl]piperidine.
What is the SMILES notation for (3S)-3-[(4-phenylphenoxy)methyl]piperidine?
The canonical SMILES for (3S)-3-[(4-phenylphenoxy)methyl]piperidine is c1ccc(-c2ccc(OC[C@H]3CCCNC3)cc2)cc1.
What is the InChIKey of (3S)-3-[(4-phenylphenoxy)methyl]piperidine?
The InChIKey is MDVRKAYQQIZQKM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-6-16(7-3-1)17-8-10-18(11-9-17)20-14-15-5-4-12-19-13-15/h1-3,6-11,15,19H,4-5,12-14H2/t15-/m0/s1.
What are the key properties of (3S)-3-[(4-phenylphenoxy)methyl]piperidine?
(3S)-3-[(4-phenylphenoxy)methyl]piperidine has a molecular weight of 267.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-phenylphenoxy)methyl]piperidine is sourced from PubChem (CID 42427138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).