N-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine

C15H18F2N2 — CID 55236856

IUPACN-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCc2cc(F)ccc2F)CC1
InChIInChI=1S/C15H18F2N2/c1-2-7-19-8-5-14(6-9-19)18-11-12-10-13(16)3-4-15(12)17/h1,3-4,10,14,18H,5-9,11H2
InChIKeyPBUJXUXOMFXOIC-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.15
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine

N-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine (PubChem CID 55236856) has the molecular formula C15H18F2N2 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine
PubChem CID55236856
Molecular FormulaC15H18F2N2
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCc2cc(F)ccc2F)CC1
InChIInChI=1S/C15H18F2N2/c1-2-7-19-8-5-14(6-9-19)18-11-12-10-13(16)3-4-15(12)17/h1,3-4,10,14,18H,5-9,11H2
InChIKeyPBUJXUXOMFXOIC-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.15
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

1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43745932
N-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43785106
N-[1-(2,4-difluorophenyl)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 43780397
N-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43772540
1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 103943629
1-(2-aminoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-amine
CID 117044801
N-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 55225914
1-prop-2-ynyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 62881993
N-[(2,5-difluorophenyl)methyl]-1,1-dioxothian-4-amine
CID 43614880
1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine
CID 81333275
2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 103948078
[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone
CID 56814831

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine (CID 55236856) is N-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(NCc2cc(F)ccc2F)CC1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is PBUJXUXOMFXOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2/c1-2-7-19-8-5-14(6-9-19)18-11-12-10-13(16)3-4-15(12)17/h1,3-4,10,14,18H,5-9,11H2.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine?
N-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 264.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 55236856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).