2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine

C18H27NO — CID 117436647

IUPAC2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine
SMILESCc1cc(C)c(OCC2CC2)c(CC2CCCCN2)c1
InChIInChI=1S/C18H27NO/c1-13-9-14(2)18(20-12-15-6-7-15)16(10-13)11-17-5-3-4-8-19-17/h9-10,15,17,19H,3-8,11-12H2,1-2H3
InChIKeyURDUUHFYWXGBKQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.78
Rot. Bonds5

About 2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine

2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine (PubChem CID 117436647) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine.

Molecular Properties

Compound Name2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine
PubChem CID117436647
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine
SMILESCc1cc(C)c(OCC2CC2)c(CC2CCCCN2)c1
InChIInChI=1S/C18H27NO/c1-13-9-14(2)18(20-12-15-6-7-15)16(10-13)11-17-5-3-4-8-19-17/h9-10,15,17,19H,3-8,11-12H2,1-2H3
InChIKeyURDUUHFYWXGBKQ-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine
CID 117348318
1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine
CID 117438814
2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine
CID 117449038
N-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]hydroxylamine
CID 117316662
2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine
CID 117427831
1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol
CID 117405442
2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine
CID 117449166
4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine
CID 117402856
2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine
CID 117494502
2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
CID 117423350
2-(cyclobutylmethoxy)-3,5-dimethylphenol
CID 84674450
2-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316526

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine?
The IUPAC name of 2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine (CID 117436647) is 2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine.
What is the SMILES notation for 2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine?
The canonical SMILES for 2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine is Cc1cc(C)c(OCC2CC2)c(CC2CCCCN2)c1.
What is the InChIKey of 2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine?
The InChIKey is URDUUHFYWXGBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-9-14(2)18(20-12-15-6-7-15)16(10-13)11-17-5-3-4-8-19-17/h9-10,15,17,19H,3-8,11-12H2,1-2H3.
What are the key properties of 2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine?
2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine has a molecular weight of 273.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine is sourced from PubChem (CID 117436647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).