[1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride

C16H27ClN2O2 — CID 119909159

IUPAC[1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCCOc1ccccc1OCCN1CCC(CN)CC1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-2-19-15-5-3-4-6-16(15)20-12-11-18-9-7-14(13-17)8-10-18;/h3-6,14H,2,7-13,17H2,1H3;1H
InChIKeyAFFKGEHNZFSVOJ-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.56
Rot. Bonds7

About [1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride

[1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride (PubChem CID 119909159) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is [1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride
PubChem CID119909159
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name[1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCCOc1ccccc1OCCN1CCC(CN)CC1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-2-19-15-5-3-4-6-16(15)20-12-11-18-9-7-14(13-17)8-10-18;/h3-6,14H,2,7-13,17H2,1H3;1H
InChIKeyAFFKGEHNZFSVOJ-UHFFFAOYSA-N
XLogP2.56
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119909793
[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651
3-(2-bromoethyl)-1-[2-(2-ethoxyphenoxy)ethyl]pyrrolidine
CID 114800481
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915924
[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methanamine
CID 28803272
1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride
CID 119906010
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine
CID 19085480
4-chloro-1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidine
CID 114682320
ethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate
CID 6457402
(3S,4R)-1-[2-(2-ethoxyphenoxy)ethyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120760721
1-[2-(2-ethoxyphenoxy)ethyl]-N,4-dimethylpiperidin-4-amine
CID 115305364
2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide
CID 63578943

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride (CID 119909159) is [1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride is CCOc1ccccc1OCCN1CCC(CN)CC1.Cl.
What is the InChIKey of [1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is AFFKGEHNZFSVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-2-19-15-5-3-4-6-16(15)20-12-11-18-9-7-14(13-17)8-10-18;/h3-6,14H,2,7-13,17H2,1H3;1H.
What are the key properties of [1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride?
[1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 119909159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).