3-fluoro-3-(methoxymethyl)-N-methyl-N-(piperidin-4-ylmethyl)pentan-1-amine

C14H29FN2O — CID 165137499

IUPAC3-fluoro-3-(methoxymethyl)-N-methyl-N-(piperidin-4-ylmethyl)pentan-1-amine
SMILESCCC(F)(CCN(C)CC1CCNCC1)COC
InChIInChI=1S/C14H29FN2O/c1-4-14(15,12-18-3)7-10-17(2)11-13-5-8-16-9-6-13/h13,16H,4-12H2,1-3H3
InChIKeyDLYITPYKUFXJHS-UHFFFAOYSA-N
MW260.40 g/mol
LogP2.07
Rot. Bonds8

About 3-fluoro-3-(methoxymethyl)-N-methyl-N-(piperidin-4-ylmethyl)pentan-1-amine

3-fluoro-3-(methoxymethyl)-N-methyl-N-(piperidin-4-ylmethyl)pentan-1-amine (PubChem CID 165137499) has the molecular formula C14H29FN2O and a molecular weight of 260.40 g/mol. Its IUPAC name is 3-fluoro-3-(methoxymethyl)-N-methyl-N-(piperidin-4-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(methoxymethyl)-N-methyl-N-(piperidin-4-ylmethyl)pentan-1-amine
PubChem CID165137499
Molecular FormulaC14H29FN2O
Molecular Weight260.40 g/mol
Exact Mass260.23
IUPAC Name3-fluoro-3-(methoxymethyl)-N-methyl-N-(piperidin-4-ylmethyl)pentan-1-amine
SMILESCCC(F)(CCN(C)CC1CCNCC1)COC
InChIInChI=1S/C14H29FN2O/c1-4-14(15,12-18-3)7-10-17(2)11-13-5-8-16-9-6-13/h13,16H,4-12H2,1-3H3
InChIKeyDLYITPYKUFXJHS-UHFFFAOYSA-N
XLogP2.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(methoxymethyl)-N-methyl-N-(piperidin-4-ylmethyl)pentan-1-amine?
The IUPAC name of 3-fluoro-3-(methoxymethyl)-N-methyl-N-(piperidin-4-ylmethyl)pentan-1-amine (CID 165137499) is 3-fluoro-3-(methoxymethyl)-N-methyl-N-(piperidin-4-ylmethyl)pentan-1-amine.
What is the SMILES notation for 3-fluoro-3-(methoxymethyl)-N-methyl-N-(piperidin-4-ylmethyl)pentan-1-amine?
The canonical SMILES for 3-fluoro-3-(methoxymethyl)-N-methyl-N-(piperidin-4-ylmethyl)pentan-1-amine is CCC(F)(CCN(C)CC1CCNCC1)COC.
What is the InChIKey of 3-fluoro-3-(methoxymethyl)-N-methyl-N-(piperidin-4-ylmethyl)pentan-1-amine?
The InChIKey is DLYITPYKUFXJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2O/c1-4-14(15,12-18-3)7-10-17(2)11-13-5-8-16-9-6-13/h13,16H,4-12H2,1-3H3.
What are the key properties of 3-fluoro-3-(methoxymethyl)-N-methyl-N-(piperidin-4-ylmethyl)pentan-1-amine?
3-fluoro-3-(methoxymethyl)-N-methyl-N-(piperidin-4-ylmethyl)pentan-1-amine has a molecular weight of 260.40 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(methoxymethyl)-N-methyl-N-(piperidin-4-ylmethyl)pentan-1-amine is sourced from PubChem (CID 165137499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).