N-(2-but-3-enoxyethyl)-1-prop-2-ynylpiperidin-4-amine

C14H24N2O — CID 103904959

IUPACN-(2-but-3-enoxyethyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCCOCCC=C)CC1
InChIInChI=1S/C14H24N2O/c1-3-5-12-17-13-8-15-14-6-10-16(9-4-2)11-7-14/h2-3,14-15H,1,5-13H2
InChIKeyNXFPUQYPVYJFNM-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.27
Rot. Bonds8

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

N-(2-but-3-enoxyethyl)-1-prop-2-ynylpiperidin-4-amine (PubChem CID 103904959) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-1-prop-2-ynylpiperidin-4-amine
PubChem CID103904959
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(2-but-3-enoxyethyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCCOCCC=C)CC1
InChIInChI=1S/C14H24N2O/c1-3-5-12-17-13-8-15-14-6-10-16(9-4-2)11-7-14/h2-3,14-15H,1,5-13H2
InChIKeyNXFPUQYPVYJFNM-UHFFFAOYSA-N
XLogP1.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-but-3-enoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103914589
3-Morpholin-4-yloct-7-en-1-amine
CID 70245026
N-[(3R)-2,3-dihydrofuran-3-yl]-1-propan-2-ylpiperidin-4-amine
CID 178157129
N-(3-morpholin-4-ylpropyl)hept-1-en-4-amine
CID 4712416
(Hex-5-en-2-yl)[(4-methylmorpholin-2-yl)methyl]amine
CID 75525428
1-(4-methylmorpholin-2-yl)-N-propylbut-3-en-1-amine
CID 79092600
N-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine
CID 79093249
N-ethyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine
CID 79093456
N-methyl-1-(4-propylmorpholin-2-yl)but-3-en-1-amine
CID 79657549
N-ethyl-1-(4-propylmorpholin-2-yl)but-3-en-1-amine
CID 79657790
N-propyl-1-(4-propylmorpholin-2-yl)but-3-en-1-amine
CID 79658188
1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine
CID 79663340

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-1-prop-2-ynylpiperidin-4-amine (CID 103904959) is N-(2-but-3-enoxyethyl)-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(NCCOCCC=C)CC1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is NXFPUQYPVYJFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-5-12-17-13-8-15-14-6-10-16(9-4-2)11-7-14/h2-3,14-15H,1,5-13H2.
What are the key properties of N-(2-but-3-enoxyethyl)-1-prop-2-ynylpiperidin-4-amine?
N-(2-but-3-enoxyethyl)-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 236.36 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 103904959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).