N-[1-(2,4-difluorophenyl)ethyl]-1-prop-2-ynylpiperidin-4-amine

C16H20F2N2 — CID 43780397

IUPACN-[1-(2,4-difluorophenyl)ethyl]-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NC(C)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H20F2N2/c1-3-8-20-9-6-14(7-10-20)19-12(2)15-5-4-13(17)11-16(15)18/h1,4-5,11-12,14,19H,6-10H2,2H3
InChIKeyMVYBCXHYDCIRSF-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.71
Rot. Bonds4

About N-[1-(2,4-difluorophenyl)ethyl]-1-prop-2-ynylpiperidin-4-amine

N-[1-(2,4-difluorophenyl)ethyl]-1-prop-2-ynylpiperidin-4-amine (PubChem CID 43780397) has the molecular formula C16H20F2N2 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-1-prop-2-ynylpiperidin-4-amine
PubChem CID43780397
Molecular FormulaC16H20F2N2
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NC(C)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H20F2N2/c1-3-8-20-9-6-14(7-10-20)19-12(2)15-5-4-13(17)11-16(15)18/h1,4-5,11-12,14,19H,6-10H2,2H3
InChIKeyMVYBCXHYDCIRSF-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine
CID 43080967
N-[1-(2,4-difluorophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43081227
N-[1-(2,5-difluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103776807
N-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine
CID 55236856
N-[1-(2,4-difluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086758
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine
CID 103776164
N-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43772540
2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol
CID 63066951
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429585
N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine
CID 130625932
5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 63066713
N-[1-(2,4-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81300560

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-1-prop-2-ynylpiperidin-4-amine (CID 43780397) is N-[1-(2,4-difluorophenyl)ethyl]-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(NC(C)c2ccc(F)cc2F)CC1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is MVYBCXHYDCIRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2/c1-3-8-20-9-6-14(7-10-20)19-12(2)15-5-4-13(17)11-16(15)18/h1,4-5,11-12,14,19H,6-10H2,2H3.
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-1-prop-2-ynylpiperidin-4-amine?
N-[1-(2,4-difluorophenyl)ethyl]-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 278.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 43780397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).