N-(3-ethynylphenyl)-1-prop-2-ynylpiperidin-4-amine

C16H18N2 — CID 43755521

IUPACN-(3-ethynylphenyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(Nc2cccc(C#C)c2)CC1
InChIInChI=1S/C16H18N2/c1-3-10-18-11-8-15(9-12-18)17-16-7-5-6-14(4-2)13-16/h1-2,5-7,13,15,17H,8-12H2
InChIKeyBIHFHFQOCQDEDN-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.18
Rot. Bonds3

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

N-(3-ethynylphenyl)-1-prop-2-ynylpiperidin-4-amine (PubChem CID 43755521) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-1-prop-2-ynylpiperidin-4-amine
PubChem CID43755521
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN-(3-ethynylphenyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(Nc2cccc(C#C)c2)CC1
InChIInChI=1S/C16H18N2/c1-3-10-18-11-8-15(9-12-18)17-16-7-5-6-14(4-2)13-16/h1-2,5-7,13,15,17H,8-12H2
InChIKeyBIHFHFQOCQDEDN-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.18
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-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43755634
N-(3-ethynylphenyl)-1-propylazepan-4-amine
CID 65073177
N-(3-ethynylphenyl)-1-methylazepan-4-amine
CID 65071478
N-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43760832
1-prop-2-ynyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine
CID 43790946
N-(3-ethynylphenyl)-1,1-dioxothian-4-amine
CID 43511415
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-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide
CID 43756950
2-methyl-5-[(1-prop-2-ynylpiperidin-4-yl)amino]benzenesulfonamide
CID 43767957
1-but-3-ynyl-N-phenylpiperidin-4-amine
CID 18427954
N-(2-bromo-6-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 107598016

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-(3-ethynylphenyl)-1-prop-2-ynylpiperidin-4-amine (CID 43755521) is N-(3-ethynylphenyl)-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-(3-ethynylphenyl)-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-(3-ethynylphenyl)-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(Nc2cccc(C#C)c2)CC1.
What is the InChIKey of N-(3-ethynylphenyl)-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is BIHFHFQOCQDEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-3-10-18-11-8-15(9-12-18)17-16-7-5-6-14(4-2)13-16/h1-2,5-7,13,15,17H,8-12H2.
What are the key properties of N-(3-ethynylphenyl)-1-prop-2-ynylpiperidin-4-amine?
N-(3-ethynylphenyl)-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 238.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 43755521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).