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

C14H23ClN2O — CID 119909793

IUPAC[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C14H22N2O.ClH/c15-12-13-6-8-16(9-7-13)10-11-17-14-4-2-1-3-5-14;/h1-5,13H,6-12,15H2;1H
InChIKeyCCPIMGXREOOZEY-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.16
Rot. Bonds5

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

[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride (PubChem CID 119909793) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is [1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
PubChem CID119909793
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C14H22N2O.ClH/c15-12-13-6-8-16(9-7-13)10-11-17-14-4-2-1-3-5-14;/h1-5,13H,6-12,15H2;1H
InChIKeyCCPIMGXREOOZEY-UHFFFAOYSA-N
XLogP2.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methanamine
CID 28803272
[1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909159
1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride
CID 117067777
4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
CID 2923141
N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593626
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
CID 22390813
4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride
CID 23294547
[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063950
4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine
CID 153398685
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
4-(aminomethyl)-1-(2-phenoxyethyl)piperidin-4-ol
CID 95461531

Frequently Asked Questions

What is the IUPAC name of [1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride (CID 119909793) is [1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride is Cl.NCC1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of [1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is CCPIMGXREOOZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c15-12-13-6-8-16(9-7-13)10-11-17-14-4-2-1-3-5-14;/h1-5,13H,6-12,15H2;1H.
What are the key properties of [1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride?
[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 119909793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).