1-[2-(2-propylnaphthalen-1-yl)oxyethyl]piperidine chloride

C20H27ClNO- — CID 21228753

IUPAC1-[2-(2-propylnaphthalen-1-yl)oxyethyl]piperidine chloride
SMILESCCCc1ccc2ccccc2c1OCCN1CCCCC1.[Cl-]
InChIInChI=1S/C20H27NO.ClH/c1-2-8-18-12-11-17-9-4-5-10-19(17)20(18)22-16-15-21-13-6-3-7-14-21;/h4-5,9-12H,2-3,6-8,13-16H2,1H3;1H/p-1
InChIKeyDXCURRLNQUEYLY-UHFFFAOYSA-M
MW332.89 g/mol
LogP1.66
Rot. Bonds6

About 1-[2-(2-propylnaphthalen-1-yl)oxyethyl]piperidine chloride

1-[2-(2-propylnaphthalen-1-yl)oxyethyl]piperidine chloride (PubChem CID 21228753) has the molecular formula C20H27ClNO- and a molecular weight of 332.89 g/mol. Its IUPAC name is 1-[2-(2-propylnaphthalen-1-yl)oxyethyl]piperidine chloride.

Molecular Properties

Compound Name1-[2-(2-propylnaphthalen-1-yl)oxyethyl]piperidine chloride
PubChem CID21228753
Molecular FormulaC20H27ClNO-
Molecular Weight332.89 g/mol
Exact Mass332.18
IUPAC Name1-[2-(2-propylnaphthalen-1-yl)oxyethyl]piperidine chloride
SMILESCCCc1ccc2ccccc2c1OCCN1CCCCC1.[Cl-]
InChIInChI=1S/C20H27NO.ClH/c1-2-8-18-12-11-17-9-4-5-10-19(17)20(18)22-16-15-21-13-6-3-7-14-21;/h4-5,9-12H,2-3,6-8,13-16H2,1H3;1H/p-1
InChIKeyDXCURRLNQUEYLY-UHFFFAOYSA-M
XLogP1.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.89
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2-propylnaphthalen-1-yl)oxyethyl]piperidine chloride 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

1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301
1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone
CID 43474266
1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine
CID 63529278
N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 39313180
1-[2-(2-butylphenoxy)ethyl]piperidine
CID 5129730
1-[2-(2-octylphenoxy)ethyl]piperidine chloride
CID 21228798
1-(12-anthracen-9-yloxydodecyl)pyrrolidine
CID 21280882
2-(2-pyrrolidin-1-ylethyl)naphthalen-1-ol
CID 174438456
1-[2-(4-propylphenoxy)ethyl]pyrrolidine
CID 54244276
1-[2-(4-methylnaphthalen-1-yl)oxyethyl]piperidine
CID 71054217
2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 22680917
2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide
CID 20987051

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-propylnaphthalen-1-yl)oxyethyl]piperidine chloride?
The IUPAC name of 1-[2-(2-propylnaphthalen-1-yl)oxyethyl]piperidine chloride (CID 21228753) is 1-[2-(2-propylnaphthalen-1-yl)oxyethyl]piperidine chloride.
What is the SMILES notation for 1-[2-(2-propylnaphthalen-1-yl)oxyethyl]piperidine chloride?
The canonical SMILES for 1-[2-(2-propylnaphthalen-1-yl)oxyethyl]piperidine chloride is CCCc1ccc2ccccc2c1OCCN1CCCCC1.[Cl-].
What is the InChIKey of 1-[2-(2-propylnaphthalen-1-yl)oxyethyl]piperidine chloride?
The InChIKey is DXCURRLNQUEYLY-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H27NO.ClH/c1-2-8-18-12-11-17-9-4-5-10-19(17)20(18)22-16-15-21-13-6-3-7-14-21;/h4-5,9-12H,2-3,6-8,13-16H2,1H3;1H/p-1.
What are the key properties of 1-[2-(2-propylnaphthalen-1-yl)oxyethyl]piperidine chloride?
1-[2-(2-propylnaphthalen-1-yl)oxyethyl]piperidine chloride has a molecular weight of 332.89 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-propylnaphthalen-1-yl)oxyethyl]piperidine chloride is sourced from PubChem (CID 21228753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).