N-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine

C14H16ClFN2 — CID 43785106

IUPACN-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(Nc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C14H16ClFN2/c1-2-7-18-8-5-12(6-9-18)17-14-4-3-11(15)10-13(14)16/h1,3-4,10,12,17H,5-9H2
InChIKeyWJJYMGIMRQTLNB-UHFFFAOYSA-N
MW266.75 g/mol
LogP2.99
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine

N-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine (PubChem CID 43785106) has the molecular formula C14H16ClFN2 and a molecular weight of 266.75 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
PubChem CID43785106
Molecular FormulaC14H16ClFN2
Molecular Weight266.75 g/mol
Exact Mass266.10
IUPAC NameN-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(Nc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C14H16ClFN2/c1-2-7-18-8-5-12(6-9-18)17-14-4-3-11(15)10-13(14)16/h1,3-4,10,12,17H,5-9H2
InChIKeyWJJYMGIMRQTLNB-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 52.99
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-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43785130
N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine
CID 43716478
N-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43772540
N-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43774950
N-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine
CID 55236856
N-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 104726156
4-chloro-N-cyclohexyl-2-fluoroaniline
CID 43716554
N-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43760832
4-[[1-(cyanomethyl)piperidin-4-yl]amino]-3-fluorobenzonitrile
CID 63626255
N-(2-methylsulfanylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43781005
3-nitro-4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenol
CID 43792219
N-(2-bromo-6-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 107598016

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine (CID 43785106) is N-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(Nc2ccc(Cl)cc2F)CC1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is WJJYMGIMRQTLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2/c1-2-7-18-8-5-12(6-9-18)17-14-4-3-11(15)10-13(14)16/h1,3-4,10,12,17H,5-9H2.
What are the key properties of N-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine?
N-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 266.75 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 43785106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).