ethylcarbamic acid;1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrobromide

C17H29BrN2O3 — CID 21153353

IUPACethylcarbamic acid;1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrobromide
SMILESBr.CCNC(=O)O.OC(CCN1CCCCC1)c1ccccc1
InChIInChI=1S/C14H21NO.C3H7NO2.BrH/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15;1-2-4-3(5)6;/h1,3-4,7-8,14,16H,2,5-6,9-12H2;4H,2H2,1H3,(H,5,6);1H
InChIKeyPXRVJBPWMBUQIA-UHFFFAOYSA-N
MW389.33 g/mol
LogP3.45
Rot. Bonds5

About ethylcarbamic acid;1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrobromide

ethylcarbamic acid;1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrobromide (PubChem CID 21153353) has the molecular formula C17H29BrN2O3 and a molecular weight of 389.33 g/mol. Its IUPAC name is ethylcarbamic acid;1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrobromide.

Molecular Properties

Compound Nameethylcarbamic acid;1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrobromide
PubChem CID21153353
Molecular FormulaC17H29BrN2O3
Molecular Weight389.33 g/mol
Exact Mass388.14
IUPAC Nameethylcarbamic acid;1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrobromide
SMILESBr.CCNC(=O)O.OC(CCN1CCCCC1)c1ccccc1
InChIInChI=1S/C14H21NO.C3H7NO2.BrH/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15;1-2-4-3(5)6;/h1,3-4,7-8,14,16H,2,5-6,9-12H2;4H,2H2,1H3,(H,5,6);1H
InChIKeyPXRVJBPWMBUQIA-UHFFFAOYSA-N
XLogP3.45
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze ethylcarbamic acid;1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70278414
1-(3-hydroxy-3-phenylpropyl)-4-methylazepan-4-ol
CID 107408828
1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-ol
CID 82074348
1-(3-hydroxy-3-phenylpropyl)azocan-2-one
CID 116693124
3-(4-ethoxypiperidin-1-yl)-1-phenylpropan-1-ol
CID 62612441
1-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164
4-(4-ethylpiperazin-1-yl)-1-phenylbutan-1-ol
CID 20795319
(1R)-3-[2-[(3R)-3-hydroxy-3-phenylpropyl]-2,8-diazaspiro[5.5]undecan-8-yl]-1-phenylpropan-1-ol
CID 166211934
1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol
CID 55094317
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-ol;ethane
CID 91244751
(1R)-3-(3-aminopiperidin-1-yl)-1-phenylpropan-1-ol
CID 112742222

Frequently Asked Questions

What is the IUPAC name of ethylcarbamic acid;1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrobromide?
The IUPAC name of ethylcarbamic acid;1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrobromide (CID 21153353) is ethylcarbamic acid;1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrobromide.
What is the SMILES notation for ethylcarbamic acid;1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrobromide?
The canonical SMILES for ethylcarbamic acid;1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrobromide is Br.CCNC(=O)O.OC(CCN1CCCCC1)c1ccccc1.
What is the InChIKey of ethylcarbamic acid;1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrobromide?
The InChIKey is PXRVJBPWMBUQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C3H7NO2.BrH/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15;1-2-4-3(5)6;/h1,3-4,7-8,14,16H,2,5-6,9-12H2;4H,2H2,1H3,(H,5,6);1H.
What are the key properties of ethylcarbamic acid;1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrobromide?
ethylcarbamic acid;1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrobromide has a molecular weight of 389.33 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcarbamic acid;1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrobromide is sourced from PubChem (CID 21153353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).