5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine

C14H21ClFN3 — CID 106641533

IUPAC5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(CC1CCCCN1)c1ncc(Cl)cc1F
InChIInChI=1S/C14H21ClFN3/c1-10(2)19(9-12-5-3-4-6-17-12)14-13(16)7-11(15)8-18-14/h7-8,10,12,17H,3-6,9H2,1-2H3
InChIKeyHEMSLOANEGKILD-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.23
Rot. Bonds4

About 5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine

5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 106641533) has the molecular formula C14H21ClFN3 and a molecular weight of 285.79 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine
PubChem CID106641533
Molecular FormulaC14H21ClFN3
Molecular Weight285.79 g/mol
Exact Mass285.14
IUPAC Name5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(CC1CCCCN1)c1ncc(Cl)cc1F
InChIInChI=1S/C14H21ClFN3/c1-10(2)19(9-12-5-3-4-6-17-12)14-13(16)7-11(15)8-18-14/h7-8,10,12,17H,3-6,9H2,1-2H3
InChIKeyHEMSLOANEGKILD-UHFFFAOYSA-N
XLogP3.23
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106618965
3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one
CID 106641472
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile
CID 106641480
5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642347
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carboxamide
CID 106641481
N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632234
2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 106641336
N-(piperidin-2-ylmethyl)-N-propan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 106641515
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile
CID 106641449
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 83837370
3,5-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620995
6-ethoxy-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-4-amine
CID 106641292

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine (CID 106641533) is 5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine is CC(C)N(CC1CCCCN1)c1ncc(Cl)cc1F.
What is the InChIKey of 5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is HEMSLOANEGKILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN3/c1-10(2)19(9-12-5-3-4-6-17-12)14-13(16)7-11(15)8-18-14/h7-8,10,12,17H,3-6,9H2,1-2H3.
What are the key properties of 5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine?
5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 285.79 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 106641533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).