(3-methylpiperidin-4-yl)methyl formate

C8H15NO2 — CID 146493499

IUPAC(3-methylpiperidin-4-yl)methyl formate
SMILESCC1CNCCC1COC=O
InChIInChI=1S/C8H15NO2/c1-7-4-9-3-2-8(7)5-11-6-10/h6-9H,2-5H2,1H3
InChIKeyXFMKPANRHITOIU-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.41
Rot. Bonds3

About (3-methylpiperidin-4-yl)methyl formate

(3-methylpiperidin-4-yl)methyl formate (PubChem CID 146493499) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3-methylpiperidin-4-yl)methyl formate.

Molecular Properties

Compound Name(3-methylpiperidin-4-yl)methyl formate
PubChem CID146493499
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3-methylpiperidin-4-yl)methyl formate
SMILESCC1CNCCC1COC=O
InChIInChI=1S/C8H15NO2/c1-7-4-9-3-2-8(7)5-11-6-10/h6-9H,2-5H2,1H3
InChIKeyXFMKPANRHITOIU-UHFFFAOYSA-N
XLogP0.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3-methylpiperidin-4-yl)methanamine;dihydrochloride
CID 135393057
piperidin-4-ylmethyl formate;hydrochloride
CID 174937459
4-(3-methoxy-3-methylbutyl)-3-methylpiperidine
CID 106777691
3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid
CID 125181118
3-methylpiperidin-4-amine;dihydrochloride
CID 155921065
N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide
CID 129381532
3-(ethoxymethyl)-4-methylpiperidine
CID 106780348
ethyl formate;piperidine-4-carbaldehyde
CID 158189584
4-[(2,2-difluorocyclopropyl)methyl]-3-methylpiperidine
CID 164659806
3-methyl-4-(4-methylpentyl)piperidine
CID 106781094
propan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate
CID 114700132
4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine
CID 106777878

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-4-yl)methyl formate?
The IUPAC name of (3-methylpiperidin-4-yl)methyl formate (CID 146493499) is (3-methylpiperidin-4-yl)methyl formate.
What is the SMILES notation for (3-methylpiperidin-4-yl)methyl formate?
The canonical SMILES for (3-methylpiperidin-4-yl)methyl formate is CC1CNCCC1COC=O.
What is the InChIKey of (3-methylpiperidin-4-yl)methyl formate?
The InChIKey is XFMKPANRHITOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7-4-9-3-2-8(7)5-11-6-10/h6-9H,2-5H2,1H3.
What are the key properties of (3-methylpiperidin-4-yl)methyl formate?
(3-methylpiperidin-4-yl)methyl formate has a molecular weight of 157.21 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-4-yl)methyl formate is sourced from PubChem (CID 146493499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).