[1-[(3,3-difluorocyclopentyl)methyl]-3-ethylpiperidin-4-yl]methanamine

C14H26F2N2 — CID 114224164

IUPAC[1-[(3,3-difluorocyclopentyl)methyl]-3-ethylpiperidin-4-yl]methanamine
SMILESCCC1CN(CC2CCC(F)(F)C2)CCC1CN
InChIInChI=1S/C14H26F2N2/c1-2-12-10-18(6-4-13(12)8-17)9-11-3-5-14(15,16)7-11/h11-13H,2-10,17H2,1H3
InChIKeyYTJQWAMJVKIYEP-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.73
Rot. Bonds4

About [1-[(3,3-difluorocyclopentyl)methyl]-3-ethylpiperidin-4-yl]methanamine

[1-[(3,3-difluorocyclopentyl)methyl]-3-ethylpiperidin-4-yl]methanamine (PubChem CID 114224164) has the molecular formula C14H26F2N2 and a molecular weight of 260.37 g/mol. Its IUPAC name is [1-[(3,3-difluorocyclopentyl)methyl]-3-ethylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(3,3-difluorocyclopentyl)methyl]-3-ethylpiperidin-4-yl]methanamine
PubChem CID114224164
Molecular FormulaC14H26F2N2
Molecular Weight260.37 g/mol
Exact Mass260.21
IUPAC Name[1-[(3,3-difluorocyclopentyl)methyl]-3-ethylpiperidin-4-yl]methanamine
SMILESCCC1CN(CC2CCC(F)(F)C2)CCC1CN
InChIInChI=1S/C14H26F2N2/c1-2-12-10-18(6-4-13(12)8-17)9-11-3-5-14(15,16)7-11/h11-13H,2-10,17H2,1H3
InChIKeyYTJQWAMJVKIYEP-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,3-difluorocyclohexyl)methyl]-4-methylpiperidin-3-amine
CID 114224380
1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine
CID 114225345
N-[1-[(3,3-difluorocyclopentyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
CID 114224136
1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 114224333
1-[(3,3-difluorocyclohexyl)methyl]-N-ethylpiperidin-3-amine
CID 114223582
4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one
CID 129348358
(3S,4R)-3-(aminomethyl)-1-ethylpiperidin-4-amine
CID 99942865
cyclopropyl-[4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-1-yl]methanone
CID 100765989
(4-ethyl-1-methylpyrrolidin-3-yl)methanamine
CID 84762713
cis-(1R,2R)-2-ethyl-4,4-difluorocyclohexan-1-ol
CID 121407303
(2-ethylcyclobutyl)methanamine
CID 58519219
4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-2-methylpyrrolidine
CID 130878255

Frequently Asked Questions

What is the IUPAC name of [1-[(3,3-difluorocyclopentyl)methyl]-3-ethylpiperidin-4-yl]methanamine?
The IUPAC name of [1-[(3,3-difluorocyclopentyl)methyl]-3-ethylpiperidin-4-yl]methanamine (CID 114224164) is [1-[(3,3-difluorocyclopentyl)methyl]-3-ethylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-[(3,3-difluorocyclopentyl)methyl]-3-ethylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-[(3,3-difluorocyclopentyl)methyl]-3-ethylpiperidin-4-yl]methanamine is CCC1CN(CC2CCC(F)(F)C2)CCC1CN.
What is the InChIKey of [1-[(3,3-difluorocyclopentyl)methyl]-3-ethylpiperidin-4-yl]methanamine?
The InChIKey is YTJQWAMJVKIYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2/c1-2-12-10-18(6-4-13(12)8-17)9-11-3-5-14(15,16)7-11/h11-13H,2-10,17H2,1H3.
What are the key properties of [1-[(3,3-difluorocyclopentyl)methyl]-3-ethylpiperidin-4-yl]methanamine?
[1-[(3,3-difluorocyclopentyl)methyl]-3-ethylpiperidin-4-yl]methanamine has a molecular weight of 260.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,3-difluorocyclopentyl)methyl]-3-ethylpiperidin-4-yl]methanamine is sourced from PubChem (CID 114224164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).