3-[2-(4-methylphenoxy)ethyl]piperidine

C14H21NO — CID 45075559

IUPAC3-[2-(4-methylphenoxy)ethyl]piperidine
SMILESCc1ccc(OCCC2CCCNC2)cc1
InChIInChI=1S/C14H21NO/c1-12-4-6-14(7-5-12)16-10-8-13-3-2-9-15-11-13/h4-7,13,15H,2-3,8-11H2,1H3
InChIKeyKFDOEPSKFIMJDM-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.76
Rot. Bonds4

About 3-[2-(4-methylphenoxy)ethyl]piperidine

3-[2-(4-methylphenoxy)ethyl]piperidine (PubChem CID 45075559) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[2-(4-methylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(4-methylphenoxy)ethyl]piperidine
PubChem CID45075559
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-[2-(4-methylphenoxy)ethyl]piperidine
SMILESCc1ccc(OCCC2CCCNC2)cc1
InChIInChI=1S/C14H21NO/c1-12-4-6-14(7-5-12)16-10-8-13-3-2-9-15-11-13/h4-7,13,15H,2-3,8-11H2,1H3
InChIKeyKFDOEPSKFIMJDM-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[2-(4-iodophenoxy)ethyl]piperidine
CID 86321285
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
N-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929845
(3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine
CID 86320853
(3S)-3-[2-(4-nitrophenoxy)ethyl]piperidine
CID 86321527
(3S)-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperidine
CID 86321569
(3S)-3-[2-(2-chloro-4-methylphenoxy)ethyl]piperidine
CID 86320313
N-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640448
(3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine
CID 86321619
3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride
CID 56829845
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
(3S)-3-[2-(3-bromo-2-methylphenoxy)ethyl]piperidine
CID 170321208

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylphenoxy)ethyl]piperidine?
The IUPAC name of 3-[2-(4-methylphenoxy)ethyl]piperidine (CID 45075559) is 3-[2-(4-methylphenoxy)ethyl]piperidine.
What is the SMILES notation for 3-[2-(4-methylphenoxy)ethyl]piperidine?
The canonical SMILES for 3-[2-(4-methylphenoxy)ethyl]piperidine is Cc1ccc(OCCC2CCCNC2)cc1.
What is the InChIKey of 3-[2-(4-methylphenoxy)ethyl]piperidine?
The InChIKey is KFDOEPSKFIMJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12-4-6-14(7-5-12)16-10-8-13-3-2-9-15-11-13/h4-7,13,15H,2-3,8-11H2,1H3.
What are the key properties of 3-[2-(4-methylphenoxy)ethyl]piperidine?
3-[2-(4-methylphenoxy)ethyl]piperidine has a molecular weight of 219.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenoxy)ethyl]piperidine is sourced from PubChem (CID 45075559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).