1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine

C17H25NOS — CID 10381813

IUPAC1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine
SMILESCSc1ccc(OCC2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C17H25NOS/c1-20-17-6-4-16(5-7-17)19-13-15-8-10-18(11-9-15)12-14-2-3-14/h4-7,14-15H,2-3,8-13H2,1H3
InChIKeyCRYRDINSHOZUNA-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.91
Rot. Bonds6

About 1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine

1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine (PubChem CID 10381813) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine
PubChem CID10381813
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine
SMILESCSc1ccc(OCC2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C17H25NOS/c1-20-17-6-4-16(5-7-17)19-13-15-8-10-18(11-9-15)12-14-2-3-14/h4-7,14-15H,2-3,8-13H2,1H3
InChIKeyCRYRDINSHOZUNA-UHFFFAOYSA-N
XLogP3.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclopropylmethyl-4-(4-iodo-phenoxymethyl)-piperidine
CID 44290508
1-Cyclopropylmethyl-4-(4-fluoro-phenoxymethyl)-piperidine
CID 10015631
1-Cyclopropylmethyl-4-(4-methanesulfonyl-phenoxymethyl)-piperidine
CID 10041895
Tert-butyl 4-[3-(4-methylsulfonylphenoxy)propyl]piperidine-1-carboxylate
CID 59234074
1-(Cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine;hydrochloride
CID 10381812
1-Cyclopropylmethyl-4-phenoxymethyl-piperidine
CID 10421988
1-Benzyl-4-piperidinyl 4-(methylsulfanyl)phenyl ether
CID 14400565
1-(Cyclopropylmethyl)-3-methyl-3-(4-methylsulfanylphenoxy)pyrrolidine
CID 155523230
4-[3-(4-Butoxyphenyl)sulfanylpropyl]morpholine
CID 232585
1-Methyl-4-(4-phenylsulfanylphenoxy)piperidine;hydrochloride
CID 14400559
4-(1-Cyclopropylmethyl-piperidin-4-ylmethoxy)-N,N-dimethyl-benzenesulfonamide
CID 10383387
4-(4-Methoxyphenyl)sulfanyl-1-(oxan-4-yl)piperidine
CID 45489095

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine?
The IUPAC name of 1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine (CID 10381813) is 1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine is CSc1ccc(OCC2CCN(CC3CC3)CC2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine?
The InChIKey is CRYRDINSHOZUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-20-17-6-4-16(5-7-17)19-13-15-8-10-18(11-9-15)12-14-2-3-14/h4-7,14-15H,2-3,8-13H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine?
1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine has a molecular weight of 291.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine is sourced from PubChem (CID 10381813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).