N-[(5-fluoro-1-methylpiperidin-2-yl)methyl]-N-methylprop-2-en-1-amine

C11H21FN2 — CID 139302721

IUPACN-[(5-fluoro-1-methylpiperidin-2-yl)methyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)CC1CCC(F)CN1C
InChIInChI=1S/C11H21FN2/c1-4-7-13(2)9-11-6-5-10(12)8-14(11)3/h4,10-11H,1,5-9H2,2-3H3
InChIKeyKZADRYCNRUMOKQ-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.54
Rot. Bonds4

About N-[(5-fluoro-1-methylpiperidin-2-yl)methyl]-N-methylprop-2-en-1-amine

N-[(5-fluoro-1-methylpiperidin-2-yl)methyl]-N-methylprop-2-en-1-amine (PubChem CID 139302721) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is N-[(5-fluoro-1-methylpiperidin-2-yl)methyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-1-methylpiperidin-2-yl)methyl]-N-methylprop-2-en-1-amine
PubChem CID139302721
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC NameN-[(5-fluoro-1-methylpiperidin-2-yl)methyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)CC1CCC(F)CN1C
InChIInChI=1S/C11H21FN2/c1-4-7-13(2)9-11-6-5-10(12)8-14(11)3/h4,10-11H,1,5-9H2,2-3H3
InChIKeyKZADRYCNRUMOKQ-UHFFFAOYSA-N
XLogP1.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1,4-bis(prop-2-enyl)piperazine
CID 517346
N-allyl-2-methylpiperidine
CID 13264660
4-But-3-en-2-yl-2-(2-fluoropropyl)-1-propan-2-ylpiperazine
CID 148614921
2-(Difluoromethyl)-1-ethyl-4-prop-2-enylpiperazine
CID 166698660
1-[(2S)-but-3-en-2-yl]-4-fluoropiperidine
CID 167186334
1-(3,3-Difluoro-1-methylpiperidin-4-yl)-4-prop-2-enylpiperazine
CID 170581770
1-Pentan-3-yl-4-prop-2-enylpiperazine
CID 20735227
1-Pentyl-4-prop-2-enylpiperazine
CID 66656054
1-Cyclohexyl-4-prop-2-enylpiperazine
CID 67027483
1-Butan-2-yl-4-prop-2-enylpiperazine
CID 166800367
(2R,5S)-2,5-Dimethyl-1,4-di(prop-2-en-1-yl)piperazine
CID 29977824
1-[(E)-but-2-enyl]-2-(difluoromethyl)piperidine
CID 131235630

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1-methylpiperidin-2-yl)methyl]-N-methylprop-2-en-1-amine?
The IUPAC name of N-[(5-fluoro-1-methylpiperidin-2-yl)methyl]-N-methylprop-2-en-1-amine (CID 139302721) is N-[(5-fluoro-1-methylpiperidin-2-yl)methyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for N-[(5-fluoro-1-methylpiperidin-2-yl)methyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for N-[(5-fluoro-1-methylpiperidin-2-yl)methyl]-N-methylprop-2-en-1-amine is C=CCN(C)CC1CCC(F)CN1C.
What is the InChIKey of N-[(5-fluoro-1-methylpiperidin-2-yl)methyl]-N-methylprop-2-en-1-amine?
The InChIKey is KZADRYCNRUMOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-4-7-13(2)9-11-6-5-10(12)8-14(11)3/h4,10-11H,1,5-9H2,2-3H3.
What are the key properties of N-[(5-fluoro-1-methylpiperidin-2-yl)methyl]-N-methylprop-2-en-1-amine?
N-[(5-fluoro-1-methylpiperidin-2-yl)methyl]-N-methylprop-2-en-1-amine has a molecular weight of 200.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-methylpiperidin-2-yl)methyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 139302721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).