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

C14H21ClFN3 — CID 106644246

IUPAC5-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylpyridin-2-amine
SMILESCCCN(CC1CCCNC1)c1ncc(Cl)cc1F
InChIInChI=1S/C14H21ClFN3/c1-2-6-19(10-11-4-3-5-17-8-11)14-13(16)7-12(15)9-18-14/h7,9,11,17H,2-6,8,10H2,1H3
InChIKeyIMHOCBVDXBFPTM-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.09
Rot. Bonds5

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

5-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylpyridin-2-amine (PubChem CID 106644246) has the molecular formula C14H21ClFN3 and a molecular weight of 285.79 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylpyridin-2-amine
PubChem CID106644246
Molecular FormulaC14H21ClFN3
Molecular Weight285.79 g/mol
Exact Mass285.14
IUPAC Name5-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylpyridin-2-amine
SMILESCCCN(CC1CCCNC1)c1ncc(Cl)cc1F
InChIInChI=1S/C14H21ClFN3/c1-2-6-19(10-11-4-3-5-17-8-11)14-13(16)7-12(15)9-18-14/h7,9,11,17H,2-6,8,10H2,1H3
InChIKeyIMHOCBVDXBFPTM-UHFFFAOYSA-N
XLogP3.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine
CID 107400753
5-chloro-N,N-bis(cyclopropylmethyl)-3-fluoropyridin-2-amine
CID 79727186
5-chloro-2-[piperidin-3-ylmethyl(propyl)amino]benzonitrile
CID 106644235
N-(piperidin-3-ylmethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 106644149
2-methoxy-N-(piperidin-3-ylmethyl)-N-propylpyridin-4-amine
CID 106643981
3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one
CID 106644195
N-(piperidin-3-ylmethyl)-N-propylthieno[3,2-d]pyrimidin-4-amine
CID 106644228
5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71642119
N-ethyl-5-fluoro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106643283
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640868
4-[piperidin-3-ylmethyl(propyl)amino]pyridine-2-carboxamide
CID 106644188
1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine
CID 106643971

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylpyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylpyridin-2-amine (CID 106644246) is 5-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylpyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylpyridin-2-amine is CCCN(CC1CCCNC1)c1ncc(Cl)cc1F.
What is the InChIKey of 5-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylpyridin-2-amine?
The InChIKey is IMHOCBVDXBFPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN3/c1-2-6-19(10-11-4-3-5-17-8-11)14-13(16)7-12(15)9-18-14/h7,9,11,17H,2-6,8,10H2,1H3.
What are the key properties of 5-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylpyridin-2-amine?
5-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylpyridin-2-amine has a molecular weight of 285.79 g/mol, XLogP of 3.09, 5 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-3-ylmethyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 106644246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).