N-[(4,4-difluoro-1-propylpiperidin-2-yl)methyl]propan-2-amine

C12H24F2N2 — CID 170709220

IUPACN-[(4,4-difluoro-1-propylpiperidin-2-yl)methyl]propan-2-amine
SMILESCCCN1CCC(F)(F)CC1CNC(C)C
InChIInChI=1S/C12H24F2N2/c1-4-6-16-7-5-12(13,14)8-11(16)9-15-10(2)3/h10-11,15H,4-9H2,1-3H3
InChIKeyQLGDCYGXJHZZMP-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.49
Rot. Bonds5

About N-[(4,4-difluoro-1-propylpiperidin-2-yl)methyl]propan-2-amine

N-[(4,4-difluoro-1-propylpiperidin-2-yl)methyl]propan-2-amine (PubChem CID 170709220) has the molecular formula C12H24F2N2 and a molecular weight of 234.33 g/mol. Its IUPAC name is N-[(4,4-difluoro-1-propylpiperidin-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4,4-difluoro-1-propylpiperidin-2-yl)methyl]propan-2-amine
PubChem CID170709220
Molecular FormulaC12H24F2N2
Molecular Weight234.33 g/mol
Exact Mass234.19
IUPAC NameN-[(4,4-difluoro-1-propylpiperidin-2-yl)methyl]propan-2-amine
SMILESCCCN1CCC(F)(F)CC1CNC(C)C
InChIInChI=1S/C12H24F2N2/c1-4-6-16-7-5-12(13,14)8-11(16)9-15-10(2)3/h10-11,15H,4-9H2,1-3H3
InChIKeyQLGDCYGXJHZZMP-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Hexylpiperazine
CID 2736513
(1-Methylpiperidin-2-yl)methanamine
CID 2794677
N-(2-Piperidylmethyl)-dimethylamine
CID 252484
2-(2-Methylpiperidin-1-yl)ethan-1-amine
CID 3149263
N,1-dimethyl-N-[2-(methylamino)ethyl]piperidin-4-amine
CID 28598734
N,1-dimethylpiperidin-3-amine
CID 547176
2-(2-Ethylpiperidin-1-yl)ethan-1-amine
CID 6422628
Methyl[(1-methylpiperidin-2-yl)methyl]amine
CID 10240913
1-Propylpiperidin-3-amine
CID 18464262
Piperidine, 2-(((2-(diethylamino)ethyl)amino)methyl)-1,6-dimethyl-
CID 201021
1-(2-Aminopropyl)piperidine
CID 118143
2-(cis-2,6-Dimethyl-1-piperidinyl)ethanamine
CID 783702

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluoro-1-propylpiperidin-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4,4-difluoro-1-propylpiperidin-2-yl)methyl]propan-2-amine (CID 170709220) is N-[(4,4-difluoro-1-propylpiperidin-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4,4-difluoro-1-propylpiperidin-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4,4-difluoro-1-propylpiperidin-2-yl)methyl]propan-2-amine is CCCN1CCC(F)(F)CC1CNC(C)C.
What is the InChIKey of N-[(4,4-difluoro-1-propylpiperidin-2-yl)methyl]propan-2-amine?
The InChIKey is QLGDCYGXJHZZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2/c1-4-6-16-7-5-12(13,14)8-11(16)9-15-10(2)3/h10-11,15H,4-9H2,1-3H3.
What are the key properties of N-[(4,4-difluoro-1-propylpiperidin-2-yl)methyl]propan-2-amine?
N-[(4,4-difluoro-1-propylpiperidin-2-yl)methyl]propan-2-amine has a molecular weight of 234.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluoro-1-propylpiperidin-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 170709220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).