3,5-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine

C14H21F2N3 — CID 112676220

IUPAC3,5-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(CC1CCNCC1)c1ncc(F)cc1F
InChIInChI=1S/C14H21F2N3/c1-10(2)19(9-11-3-5-17-6-4-11)14-13(16)7-12(15)8-18-14/h7-8,10-11,17H,3-6,9H2,1-2H3
InChIKeyOXSGJHQUGJZKBO-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.57
Rot. Bonds4

About 3,5-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine

3,5-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 112676220) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3,5-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
PubChem CID112676220
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3,5-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(CC1CCNCC1)c1ncc(F)cc1F
InChIInChI=1S/C14H21F2N3/c1-10(2)19(9-11-3-5-17-6-4-11)14-13(16)7-12(15)8-18-14/h7-8,10-11,17H,3-6,9H2,1-2H3
InChIKeyOXSGJHQUGJZKBO-UHFFFAOYSA-N
XLogP2.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 105367387
1-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 79703221
N-(piperidin-4-ylmethyl)-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 79719414
5-iodo-4-[piperidin-4-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136978727
5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106641533
1-ethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylimidazol-2-amine
CID 79719989
3,5-difluoro-2-(piperidin-4-ylmethyl)pyridine
CID 170068814
3-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 79705334
5-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106504475
N-[1-(2,4-difluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698898
2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carboxamide
CID 79719768
7-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 102686927

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine (CID 112676220) is 3,5-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine is CC(C)N(CC1CCNCC1)c1ncc(F)cc1F.
What is the InChIKey of 3,5-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is OXSGJHQUGJZKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-10(2)19(9-11-3-5-17-6-4-11)14-13(16)7-12(15)8-18-14/h7-8,10-11,17H,3-6,9H2,1-2H3.
What are the key properties of 3,5-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
3,5-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 269.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 112676220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).