(3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine

C15H23NO — CID 86320853

IUPAC(3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine
SMILESCc1ccc(COCC[C@@H]2CCCNC2)cc1
InChIInChI=1S/C15H23NO/c1-13-4-6-15(7-5-13)12-17-10-8-14-3-2-9-16-11-14/h4-7,14,16H,2-3,8-12H2,1H3/t14-/m0/s1
InChIKeyVYZCTXGKIQAAHQ-AWEZNQCLSA-N
MW233.35 g/mol
LogP2.90
Rot. Bonds5

About (3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine

(3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine (PubChem CID 86320853) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine
PubChem CID86320853
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine
SMILESCc1ccc(COCC[C@@H]2CCCNC2)cc1
InChIInChI=1S/C15H23NO/c1-13-4-6-15(7-5-13)12-17-10-8-14-3-2-9-16-11-14/h4-7,14,16H,2-3,8-12H2,1H3/t14-/m0/s1
InChIKeyVYZCTXGKIQAAHQ-AWEZNQCLSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine
CID 86321735
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
(3R)-3-[(4-methylphenyl)methoxymethyl]piperidine
CID 26190607
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
(3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine
CID 86321802
3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine
CID 107882752
3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 56830508
(3S)-3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 86321717
2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine
CID 97178263
methyl 4-(2-pyrrolidin-3-ylethoxymethyl)benzoate
CID 106940966
3-[2-[(3,4-dimethoxyphenyl)methoxy]ethyl]pyrrolidine
CID 114796045
2-chloro-4-[2-[(3S)-piperidin-3-yl]ethoxymethyl]pyrimidine
CID 97163935

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine?
The IUPAC name of (3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine (CID 86320853) is (3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine.
What is the SMILES notation for (3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine?
The canonical SMILES for (3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine is Cc1ccc(COCC[C@@H]2CCCNC2)cc1.
What is the InChIKey of (3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine?
The InChIKey is VYZCTXGKIQAAHQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23NO/c1-13-4-6-15(7-5-13)12-17-10-8-14-3-2-9-16-11-14/h4-7,14,16H,2-3,8-12H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine?
(3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine has a molecular weight of 233.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine is sourced from PubChem (CID 86320853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).