N-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine

C14H16Cl2N2 — CID 43760832

IUPACN-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H16Cl2N2/c1-2-7-18-8-5-11(6-9-18)17-12-3-4-13(15)14(16)10-12/h1,3-4,10-11,17H,5-9H2
InChIKeyIKRZEVGHGUBESQ-UHFFFAOYSA-N
MW283.20 g/mol
LogP3.50
Rot. Bonds3

About N-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine

N-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine (PubChem CID 43760832) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine
PubChem CID43760832
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC NameN-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H16Cl2N2/c1-2-7-18-8-5-11(6-9-18)17-12-3-4-13(15)14(16)10-12/h1,3-4,10-11,17H,5-9H2
InChIKeyIKRZEVGHGUBESQ-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 53.50
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-3-nitrophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43785748
methyl 2-chloro-5-[(1-prop-2-ynylpiperidin-4-yl)amino]benzoate
CID 43778965
N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazol-6-amine
CID 43790640
N-(3-ethynylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43755521
N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43755634
N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide
CID 43756950
N-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43774950
2-methyl-5-[(1-prop-2-ynylpiperidin-4-yl)amino]benzenesulfonamide
CID 43767957
N-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 104726156
N-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43785106
1-prop-2-ynyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine
CID 43790946
6-[(1-prop-2-ynylpiperidin-4-yl)amino]-4H-1,4-benzoxazin-3-one
CID 43767742

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine (CID 43760832) is N-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(Nc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is IKRZEVGHGUBESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c1-2-7-18-8-5-11(6-9-18)17-12-3-4-13(15)14(16)10-12/h1,3-4,10-11,17H,5-9H2.
What are the key properties of N-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine?
N-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 283.20 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 43760832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).