3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine

C16H23NO — CID 117116450

IUPAC3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine
SMILESCOCC1(c2cccc(C3CCCNC3)c2)CC1
InChIInChI=1S/C16H23NO/c1-18-12-16(7-8-16)15-6-2-4-13(10-15)14-5-3-9-17-11-14/h2,4,6,10,14,17H,3,5,7-9,11-12H2,1H3
InChIKeyWSKZCUSWKCXVHO-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.83
Rot. Bonds4

About 3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine

3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine (PubChem CID 117116450) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine.

Molecular Properties

Compound Name3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine
PubChem CID117116450
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine
SMILESCOCC1(c2cccc(C3CCCNC3)c2)CC1
InChIInChI=1S/C16H23NO/c1-18-12-16(7-8-16)15-6-2-4-13(10-15)14-5-3-9-17-11-14/h2,4,6,10,14,17H,3,5,7-9,11-12H2,1H3
InChIKeyWSKZCUSWKCXVHO-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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Related Compounds

3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine
CID 117116652
2-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine
CID 117116336
N-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97188264
[1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine
CID 84793975
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]piperidine
CID 117116444
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
4-[4-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine
CID 117116547
N-methyl-1-(3-piperidin-3-ylphenyl)methanamine
CID 116988688
3-[3-(2-fluoroethoxy)phenyl]piperidine
CID 84688599
3-piperidin-3-ylbenzenethiol
CID 116988736
(3-piperidin-3-ylphenyl)methanamine
CID 82603658
(3-piperidin-3-ylphenoxy)phosphane
CID 144633040

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine?
The IUPAC name of 3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine (CID 117116450) is 3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine.
What is the SMILES notation for 3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine?
The canonical SMILES for 3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine is COCC1(c2cccc(C3CCCNC3)c2)CC1.
What is the InChIKey of 3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine?
The InChIKey is WSKZCUSWKCXVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-18-12-16(7-8-16)15-6-2-4-13(10-15)14-5-3-9-17-11-14/h2,4,6,10,14,17H,3,5,7-9,11-12H2,1H3.
What are the key properties of 3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine?
3-[3-[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 3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine is sourced from PubChem (CID 117116450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).