1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol

C19H26N2O2 — CID 23934706

IUPAC1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
SMILESCN1CCC(NCC(O)COc2cccc3ccccc23)CC1
InChIInChI=1S/C19H26N2O2/c1-21-11-9-16(10-12-21)20-13-17(22)14-23-19-8-4-6-15-5-2-3-7-18(15)19/h2-8,16-17,20,22H,9-14H2,1H3
InChIKeyASPAXUZJGIWLFX-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.26
Rot. Bonds6

About 1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol

1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 23934706) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
PubChem CID23934706
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
SMILESCN1CCC(NCC(O)COc2cccc3ccccc23)CC1
InChIInChI=1S/C19H26N2O2/c1-21-11-9-16(10-12-21)20-13-17(22)14-23-19-8-4-6-15-5-2-3-7-18(15)19/h2-8,16-17,20,22H,9-14H2,1H3
InChIKeyASPAXUZJGIWLFX-UHFFFAOYSA-N
XLogP2.26
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol 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

(2S)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086466
(2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086464
1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60900276
1-naphthalen-1-yloxy-3-[[(3R)-pyrrolidin-3-yl]amino]propan-2-ol
CID 71182163
1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 60910129
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4799215
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol
CID 111755497
ethyl 4-[[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]piperidine-1-carboxylate
CID 7875002
1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 3076139

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of 1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol (CID 23934706) is 1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for 1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for 1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol is CN1CCC(NCC(O)COc2cccc3ccccc23)CC1.
What is the InChIKey of 1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is ASPAXUZJGIWLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-21-11-9-16(10-12-21)20-13-17(22)14-23-19-8-4-6-15-5-2-3-7-18(15)19/h2-8,16-17,20,22H,9-14H2,1H3.
What are the key properties of 1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol?
1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 314.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol is sourced from PubChem (CID 23934706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).