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

C19H31ClN2O4 — CID 24836360

IUPAC(2-hydroxy-3-piperidin-1-ylpropyl) N-(3-butoxyphenyl)carbamate;hydrochloride
SMILESCCCCOc1cccc(NC(=O)OCC(O)CN2CCCCC2)c1.Cl
InChIInChI=1S/C19H30N2O4.ClH/c1-2-3-12-24-18-9-7-8-16(13-18)20-19(23)25-15-17(22)14-21-10-5-4-6-11-21;/h7-9,13,17,22H,2-6,10-12,14-15H2,1H3,(H,20,23);1H
InChIKeyGHPTZNJVDRWGDW-UHFFFAOYSA-N
MW386.92 g/mol
LogP3.68
Rot. Bonds9

About (2-hydroxy-3-piperidin-1-ylpropyl) N-(3-butoxyphenyl)carbamate;hydrochloride

(2-hydroxy-3-piperidin-1-ylpropyl) N-(3-butoxyphenyl)carbamate;hydrochloride (PubChem CID 24836360) has the molecular formula C19H31ClN2O4 and a molecular weight of 386.92 g/mol. Its IUPAC name is (2-hydroxy-3-piperidin-1-ylpropyl) N-(3-butoxyphenyl)carbamate;hydrochloride.

Molecular Properties

Compound Name(2-hydroxy-3-piperidin-1-ylpropyl) N-(3-butoxyphenyl)carbamate;hydrochloride
PubChem CID24836360
Molecular FormulaC19H31ClN2O4
Molecular Weight386.92 g/mol
Exact Mass386.20
IUPAC Name(2-hydroxy-3-piperidin-1-ylpropyl) N-(3-butoxyphenyl)carbamate;hydrochloride
SMILESCCCCOc1cccc(NC(=O)OCC(O)CN2CCCCC2)c1.Cl
InChIInChI=1S/C19H30N2O4.ClH/c1-2-3-12-24-18-9-7-8-16(13-18)20-19(23)25-15-17(22)14-21-10-5-4-6-11-21;/h7-9,13,17,22H,2-6,10-12,14-15H2,1H3,(H,20,23);1H
InChIKeyGHPTZNJVDRWGDW-UHFFFAOYSA-N
XLogP3.68
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-di(piperidin-1-yl)propan-2-yl N-(3-butoxyphenyl)carbamate
CID 3087334
(1-hydroxy-3-piperidin-1-ylpropan-2-yl) N-(3-butoxyphenyl)carbamate
CID 24836354
3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate
CID 15937470
(1-propoxy-3-pyrrolidin-1-ylpropan-2-yl) N-(3-hexoxyphenyl)carbamate
CID 3072629
[1-(diethylamino)-3-piperidin-1-ylpropan-2-yl] N-(3-pentoxyphenyl)carbamate;dihydrochloride
CID 13127177
[2-hydroxy-3-(propylamino)propyl] N-(3-pentoxyphenyl)carbamate
CID 10382513
2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride
CID 3087063
2-piperidin-1-ylethyl N-(3-propan-2-yloxyphenyl)carbamate
CID 23275932
(2-hydroxy-3-piperidin-1-ylpropyl) N-(2,4,6-trimethylphenyl)carbamate;phenylcarbamic acid;hydrochloride
CID 24836601
butyl N-[4-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]carbamate
CID 10392895
[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl] N-(4-propoxyphenyl)carbamate
CID 86577810
[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)propan-2-yl] N-(3-pentoxyphenyl)carbamate
CID 101339704

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-piperidin-1-ylpropyl) N-(3-butoxyphenyl)carbamate;hydrochloride?
The IUPAC name of (2-hydroxy-3-piperidin-1-ylpropyl) N-(3-butoxyphenyl)carbamate;hydrochloride (CID 24836360) is (2-hydroxy-3-piperidin-1-ylpropyl) N-(3-butoxyphenyl)carbamate;hydrochloride.
What is the SMILES notation for (2-hydroxy-3-piperidin-1-ylpropyl) N-(3-butoxyphenyl)carbamate;hydrochloride?
The canonical SMILES for (2-hydroxy-3-piperidin-1-ylpropyl) N-(3-butoxyphenyl)carbamate;hydrochloride is CCCCOc1cccc(NC(=O)OCC(O)CN2CCCCC2)c1.Cl.
What is the InChIKey of (2-hydroxy-3-piperidin-1-ylpropyl) N-(3-butoxyphenyl)carbamate;hydrochloride?
The InChIKey is GHPTZNJVDRWGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4.ClH/c1-2-3-12-24-18-9-7-8-16(13-18)20-19(23)25-15-17(22)14-21-10-5-4-6-11-21;/h7-9,13,17,22H,2-6,10-12,14-15H2,1H3,(H,20,23);1H.
What are the key properties of (2-hydroxy-3-piperidin-1-ylpropyl) N-(3-butoxyphenyl)carbamate;hydrochloride?
(2-hydroxy-3-piperidin-1-ylpropyl) N-(3-butoxyphenyl)carbamate;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-piperidin-1-ylpropyl) N-(3-butoxyphenyl)carbamate;hydrochloride is sourced from PubChem (CID 24836360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).