N-[(2,2-difluorocyclopropyl)methyl]-1-methylpiperidin-4-amine

C10H18F2N2 — CID 177148476

IUPACN-[(2,2-difluorocyclopropyl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCC2CC2(F)F)CC1
InChIInChI=1S/C10H18F2N2/c1-14-4-2-9(3-5-14)13-7-8-6-10(8,11)12/h8-9,13H,2-7H2,1H3
InChIKeyOAQMEKTYJDUVLB-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.33
Rot. Bonds3

About N-[(2,2-difluorocyclopropyl)methyl]-1-methylpiperidin-4-amine

N-[(2,2-difluorocyclopropyl)methyl]-1-methylpiperidin-4-amine (PubChem CID 177148476) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is N-[(2,2-difluorocyclopropyl)methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2,2-difluorocyclopropyl)methyl]-1-methylpiperidin-4-amine
PubChem CID177148476
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC NameN-[(2,2-difluorocyclopropyl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCC2CC2(F)F)CC1
InChIInChI=1S/C10H18F2N2/c1-14-4-2-9(3-5-14)13-7-8-6-10(8,11)12/h8-9,13H,2-7H2,1H3
InChIKeyOAQMEKTYJDUVLB-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-1-methylazepan-4-amine
CID 65070057
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
N-(cyclopropylmethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 78921372
1,1-dimethyl-2-(1-methylpiperidin-4-yl)hydrazine
CID 83005655
1-methyl-N-(piperidin-2-ylmethyl)piperidin-4-amine
CID 106633123
ethane;N-ethyl-1-methylpyrrolidin-3-amine
CID 145338055
1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 60696502
1-methyl-N-[(4-methylcyclohexyl)methyl]azepan-4-amine
CID 65075081
1-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-3-amine
CID 62657172
N-but-2-ynyl-1-methylpiperidin-4-amine
CID 62310337
N-(1,4-dithian-2-ylmethyl)-1-methylpiperidin-4-amine
CID 115727317
(3R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methylpyrrolidin-3-amine
CID 124670745

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluorocyclopropyl)methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(2,2-difluorocyclopropyl)methyl]-1-methylpiperidin-4-amine (CID 177148476) is N-[(2,2-difluorocyclopropyl)methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(2,2-difluorocyclopropyl)methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(2,2-difluorocyclopropyl)methyl]-1-methylpiperidin-4-amine is CN1CCC(NCC2CC2(F)F)CC1.
What is the InChIKey of N-[(2,2-difluorocyclopropyl)methyl]-1-methylpiperidin-4-amine?
The InChIKey is OAQMEKTYJDUVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c1-14-4-2-9(3-5-14)13-7-8-6-10(8,11)12/h8-9,13H,2-7H2,1H3.
What are the key properties of N-[(2,2-difluorocyclopropyl)methyl]-1-methylpiperidin-4-amine?
N-[(2,2-difluorocyclopropyl)methyl]-1-methylpiperidin-4-amine has a molecular weight of 204.26 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluorocyclopropyl)methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 177148476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).