1-[(3,3-difluorocyclohexyl)methyl]-N-ethylpiperidin-3-amine

C14H26F2N2 — CID 114223582

IUPAC1-[(3,3-difluorocyclohexyl)methyl]-N-ethylpiperidin-3-amine
SMILESCCNC1CCCN(CC2CCCC(F)(F)C2)C1
InChIInChI=1S/C14H26F2N2/c1-2-17-13-6-4-8-18(11-13)10-12-5-3-7-14(15,16)9-12/h12-13,17H,2-11H2,1H3
InChIKeyWHJMBOFFPXZAKH-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.89
Rot. Bonds4

About 1-[(3,3-difluorocyclohexyl)methyl]-N-ethylpiperidin-3-amine

1-[(3,3-difluorocyclohexyl)methyl]-N-ethylpiperidin-3-amine (PubChem CID 114223582) has the molecular formula C14H26F2N2 and a molecular weight of 260.37 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclohexyl)methyl]-N-ethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(3,3-difluorocyclohexyl)methyl]-N-ethylpiperidin-3-amine
PubChem CID114223582
Molecular FormulaC14H26F2N2
Molecular Weight260.37 g/mol
Exact Mass260.21
IUPAC Name1-[(3,3-difluorocyclohexyl)methyl]-N-ethylpiperidin-3-amine
SMILESCCNC1CCCN(CC2CCCC(F)(F)C2)C1
InChIInChI=1S/C14H26F2N2/c1-2-17-13-6-4-8-18(11-13)10-12-5-3-7-14(15,16)9-12/h12-13,17H,2-11H2,1H3
InChIKeyWHJMBOFFPXZAKH-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine
CID 114225345
1-[(3,3-difluorocyclohexyl)methyl]-4-methylpiperidin-3-amine
CID 114224380
N-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 60855604
2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid
CID 114224344
1-(2-ethoxy-2-methylpropyl)-N-ethylpiperidin-3-amine
CID 114944306
N-propyl-1-(thiolan-3-ylmethyl)piperidin-3-amine
CID 107298390
[1-[(3,3-difluorocyclopentyl)methyl]-3-ethylpiperidin-4-yl]methanamine
CID 114224164
N-ethyl-1-(3-ethylpentan-3-yl)piperidin-3-amine
CID 65043436
ethane;N-ethyl-1-methylpyrrolidin-3-amine
CID 145338055
ethyl 2-[3-(ethylamino)piperidin-1-yl]acetate
CID 83990671
N-[[1-(cyclopentylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580792
(1S)-3,3-difluoro-N-methylcyclohexan-1-amine
CID 177192029

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclohexyl)methyl]-N-ethylpiperidin-3-amine?
The IUPAC name of 1-[(3,3-difluorocyclohexyl)methyl]-N-ethylpiperidin-3-amine (CID 114223582) is 1-[(3,3-difluorocyclohexyl)methyl]-N-ethylpiperidin-3-amine.
What is the SMILES notation for 1-[(3,3-difluorocyclohexyl)methyl]-N-ethylpiperidin-3-amine?
The canonical SMILES for 1-[(3,3-difluorocyclohexyl)methyl]-N-ethylpiperidin-3-amine is CCNC1CCCN(CC2CCCC(F)(F)C2)C1.
What is the InChIKey of 1-[(3,3-difluorocyclohexyl)methyl]-N-ethylpiperidin-3-amine?
The InChIKey is WHJMBOFFPXZAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2/c1-2-17-13-6-4-8-18(11-13)10-12-5-3-7-14(15,16)9-12/h12-13,17H,2-11H2,1H3.
What are the key properties of 1-[(3,3-difluorocyclohexyl)methyl]-N-ethylpiperidin-3-amine?
1-[(3,3-difluorocyclohexyl)methyl]-N-ethylpiperidin-3-amine has a molecular weight of 260.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclohexyl)methyl]-N-ethylpiperidin-3-amine is sourced from PubChem (CID 114223582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).