N-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine

C16H26FN3 — CID 63793431

IUPACN-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine
SMILESCC(N)Cc1ccc(N(C)C2CCCN(C)C2)c(F)c1
InChIInChI=1S/C16H26FN3/c1-12(18)9-13-6-7-16(15(17)10-13)20(3)14-5-4-8-19(2)11-14/h6-7,10,12,14H,4-5,8-9,11,18H2,1-3H3
InChIKeyOHJYOSCANSZSCJ-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.25
Rot. Bonds4

About N-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine

N-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 63793431) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine
PubChem CID63793431
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC NameN-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine
SMILESCC(N)Cc1ccc(N(C)C2CCCN(C)C2)c(F)c1
InChIInChI=1S/C16H26FN3/c1-12(18)9-13-6-7-16(15(17)10-13)20(3)14-5-4-8-19(2)11-14/h6-7,10,12,14H,4-5,8-9,11,18H2,1-3H3
InChIKeyOHJYOSCANSZSCJ-UHFFFAOYSA-N
XLogP2.25
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-aminopropyl)-2-fluorophenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 63794309
4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline
CID 55235260
4-(2-aminopropyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2-fluoroaniline
CID 64521103
4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline
CID 63786126
[4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol
CID 43267339
N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-3-amine
CID 62546260
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63817737
N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 43281747
N-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine
CID 63785833
N-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine
CID 82968010
N-[2-(2-aminoethyl)-4-chlorophenyl]-N,1-dimethylpiperidin-3-amine
CID 114860797
4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline
CID 105418519

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine (CID 63793431) is N-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine is CC(N)Cc1ccc(N(C)C2CCCN(C)C2)c(F)c1.
What is the InChIKey of N-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is OHJYOSCANSZSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-12(18)9-13-6-7-16(15(17)10-13)20(3)14-5-4-8-19(2)11-14/h6-7,10,12,14H,4-5,8-9,11,18H2,1-3H3.
What are the key properties of N-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine?
N-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 279.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 63793431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).