2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride

C21H27ClN2O3 — CID 138398426

IUPAC2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride
SMILESCl.O=C(Nc1cccc(OCc2ccccc2)c1)OCCN1CCCCC1
InChIInChI=1S/C21H26N2O3.ClH/c24-21(25-15-14-23-12-5-2-6-13-23)22-19-10-7-11-20(16-19)26-17-18-8-3-1-4-9-18;/h1,3-4,7-11,16H,2,5-6,12-15,17H2,(H,22,24);1H
InChIKeyBSJQPARZZHJHGM-UHFFFAOYSA-N
MW390.91 g/mol
LogP4.72
Rot. Bonds7

About 2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride

2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride (PubChem CID 138398426) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride.

Molecular Properties

Compound Name2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride
PubChem CID138398426
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride
SMILESCl.O=C(Nc1cccc(OCc2ccccc2)c1)OCCN1CCCCC1
InChIInChI=1S/C21H26N2O3.ClH/c24-21(25-15-14-23-12-5-2-6-13-23)22-19-10-7-11-20(16-19)26-17-18-8-3-1-4-9-18;/h1,3-4,7-11,16H,2,5-6,12-15,17H2,(H,22,24);1H
InChIKeyBSJQPARZZHJHGM-UHFFFAOYSA-N
XLogP4.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(2-hydroxy-3-piperidin-1-ylpropyl) N-(3-butoxyphenyl)carbamate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride?
The IUPAC name of 2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride (CID 138398426) is 2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride.
What is the SMILES notation for 2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride?
The canonical SMILES for 2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride is Cl.O=C(Nc1cccc(OCc2ccccc2)c1)OCCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride?
The InChIKey is BSJQPARZZHJHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3.ClH/c24-21(25-15-14-23-12-5-2-6-13-23)22-19-10-7-11-20(16-19)26-17-18-8-3-1-4-9-18;/h1,3-4,7-11,16H,2,5-6,12-15,17H2,(H,22,24);1H.
What are the key properties of 2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride?
2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride has a molecular weight of 390.91 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride is sourced from PubChem (CID 138398426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).