N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine

C14H21F2N3 — CID 112676134

IUPACN-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(c2ncc(F)cc2F)C1
InChIInChI=1S/C14H21F2N3/c1-10(2)17-7-11-4-3-5-19(9-11)14-13(16)6-12(15)8-18-14/h6,8,10-11,17H,3-5,7,9H2,1-2H3
InChIKeyWVAFBQJSYSWCHD-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.57
Rot. Bonds4

About N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine

N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine (PubChem CID 112676134) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine
PubChem CID112676134
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(c2ncc(F)cc2F)C1
InChIInChI=1S/C14H21F2N3/c1-10(2)17-7-11-4-3-5-19(9-11)14-13(16)6-12(15)8-18-14/h6,8,10-11,17H,3-5,7,9H2,1-2H3
InChIKeyWVAFBQJSYSWCHD-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

N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine
CID 112676486
N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 79734168
N-[[(3S)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]methyl]propane-2-sulfonamide
CID 96546219
N-[[(3R)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]methyl]propane-2-sulfonamide
CID 96546218
N-[[1-(5-iodopyrimidin-4-yl)piperidin-3-yl]methyl]propan-2-amine
CID 66340622
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 63241718
2-[1-(3,5-difluoro-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 114799515
N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine
CID 114869508
N-[1-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine
CID 115993874
1-(3,5-difluoro-2-pyridinyl)piperidine-3-carboximidamide
CID 112675527
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 104606621
N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]propan-2-amine
CID 62588134

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine (CID 112676134) is N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(c2ncc(F)cc2F)C1.
What is the InChIKey of N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is WVAFBQJSYSWCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-10(2)17-7-11-4-3-5-19(9-11)14-13(16)6-12(15)8-18-14/h6,8,10-11,17H,3-5,7,9H2,1-2H3.
What are the key properties of N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine?
N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]propan-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 N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 112676134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).