3-(cyclopropylmethoxymethyl)-1-(3,4-dichlorophenyl)piperidine

C16H21Cl2NO — CID 68824740

IUPAC3-(cyclopropylmethoxymethyl)-1-(3,4-dichlorophenyl)piperidine
SMILESClc1ccc(N2CCCC(COCC3CC3)C2)cc1Cl
InChIInChI=1S/C16H21Cl2NO/c17-15-6-5-14(8-16(15)18)19-7-1-2-13(9-19)11-20-10-12-3-4-12/h5-6,8,12-13H,1-4,7,9-11H2
InChIKeyQZQRNTMEUIDSHI-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.64
Rot. Bonds5

About 3-(cyclopropylmethoxymethyl)-1-(3,4-dichlorophenyl)piperidine

3-(cyclopropylmethoxymethyl)-1-(3,4-dichlorophenyl)piperidine (PubChem CID 68824740) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethyl)-1-(3,4-dichlorophenyl)piperidine.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethyl)-1-(3,4-dichlorophenyl)piperidine
PubChem CID68824740
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC Name3-(cyclopropylmethoxymethyl)-1-(3,4-dichlorophenyl)piperidine
SMILESClc1ccc(N2CCCC(COCC3CC3)C2)cc1Cl
InChIInChI=1S/C16H21Cl2NO/c17-15-6-5-14(8-16(15)18)19-7-1-2-13(9-19)11-20-10-12-3-4-12/h5-6,8,12-13H,1-4,7,9-11H2
InChIKeyQZQRNTMEUIDSHI-UHFFFAOYSA-N
XLogP4.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethyl)-1-(3,4-dichlorophenyl)piperidine?
The IUPAC name of 3-(cyclopropylmethoxymethyl)-1-(3,4-dichlorophenyl)piperidine (CID 68824740) is 3-(cyclopropylmethoxymethyl)-1-(3,4-dichlorophenyl)piperidine.
What is the SMILES notation for 3-(cyclopropylmethoxymethyl)-1-(3,4-dichlorophenyl)piperidine?
The canonical SMILES for 3-(cyclopropylmethoxymethyl)-1-(3,4-dichlorophenyl)piperidine is Clc1ccc(N2CCCC(COCC3CC3)C2)cc1Cl.
What is the InChIKey of 3-(cyclopropylmethoxymethyl)-1-(3,4-dichlorophenyl)piperidine?
The InChIKey is QZQRNTMEUIDSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c17-15-6-5-14(8-16(15)18)19-7-1-2-13(9-19)11-20-10-12-3-4-12/h5-6,8,12-13H,1-4,7,9-11H2.
What are the key properties of 3-(cyclopropylmethoxymethyl)-1-(3,4-dichlorophenyl)piperidine?
3-(cyclopropylmethoxymethyl)-1-(3,4-dichlorophenyl)piperidine has a molecular weight of 314.26 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethyl)-1-(3,4-dichlorophenyl)piperidine is sourced from PubChem (CID 68824740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).