4-[4-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine

C16H23NO — CID 117116547

IUPAC4-[4-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine
SMILESCOCC1(c2ccc(C3CCNCC3)cc2)CC1
InChIInChI=1S/C16H23NO/c1-18-12-16(8-9-16)15-4-2-13(3-5-15)14-6-10-17-11-7-14/h2-5,14,17H,6-12H2,1H3
InChIKeyHCYIJLMBVCZQHP-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.83
Rot. Bonds4

About 4-[4-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine

4-[4-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine (PubChem CID 117116547) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[4-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine.

Molecular Properties

Compound Name4-[4-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine
PubChem CID117116547
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-[4-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine
SMILESCOCC1(c2ccc(C3CCNCC3)cc2)CC1
InChIInChI=1S/C16H23NO/c1-18-12-16(8-9-16)15-4-2-13(3-5-15)14-6-10-17-11-7-14/h2-5,14,17H,6-12H2,1H3
InChIKeyHCYIJLMBVCZQHP-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine?
The IUPAC name of 4-[4-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine (CID 117116547) is 4-[4-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine.
What is the SMILES notation for 4-[4-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine?
The canonical SMILES for 4-[4-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine is COCC1(c2ccc(C3CCNCC3)cc2)CC1.
What is the InChIKey of 4-[4-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine?
The InChIKey is HCYIJLMBVCZQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-18-12-16(8-9-16)15-4-2-13(3-5-15)14-6-10-17-11-7-14/h2-5,14,17H,6-12H2,1H3.
What are the key properties of 4-[4-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine?
4-[4-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine has a molecular weight of 245.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine is sourced from PubChem (CID 117116547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).