ethyl (Z)-3-(1-tert-butylpiperidin-4-yl)-2-methylprop-2-enoate

C15H27NO2 — CID 175905218

IUPACethyl (Z)-3-(1-tert-butylpiperidin-4-yl)-2-methylprop-2-enoate
SMILESCCOC(=O)/C(C)=C\C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H27NO2/c1-6-18-14(17)12(2)11-13-7-9-16(10-8-13)15(3,4)5/h11,13H,6-10H2,1-5H3/b12-11-
InChIKeyRVBDOHKVPSSBIB-QXMHVHEDSA-N
MW253.39 g/mol
LogP3.01
Rot. Bonds3

About ethyl (Z)-3-(1-tert-butylpiperidin-4-yl)-2-methylprop-2-enoate

ethyl (Z)-3-(1-tert-butylpiperidin-4-yl)-2-methylprop-2-enoate (PubChem CID 175905218) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is ethyl (Z)-3-(1-tert-butylpiperidin-4-yl)-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(1-tert-butylpiperidin-4-yl)-2-methylprop-2-enoate
PubChem CID175905218
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nameethyl (Z)-3-(1-tert-butylpiperidin-4-yl)-2-methylprop-2-enoate
SMILESCCOC(=O)/C(C)=C\C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H27NO2/c1-6-18-14(17)12(2)11-13-7-9-16(10-8-13)15(3,4)5/h11,13H,6-10H2,1-5H3/b12-11-
InChIKeyRVBDOHKVPSSBIB-QXMHVHEDSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (2E)-2-(3-fluoro-1-methylpiperidin-4-ylidene)acetate
CID 143028213
Ethyl 2-(1-methylpiperidin-4-ylidene)acetate
CID 274828
ethyl (2E)-2-(1-methyl-4-methylidenepiperidin-3-ylidene)acetate
CID 178341906
methyl (Z)-2-fluoro-3-(1-methylpiperidin-4-yl)prop-2-enoate
CID 105453505
tert-butyl 4-[(E)-4-ethoxy-3-methyl-4-oxobut-2-enyl]piperidine-1-carboxylate
CID 11301393
tert-Butyl (E)-4-(3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl)piperidine-1-carboxylate
CID 12144732
Ethyl 1-n-butyl-4-piperidylideneacetate
CID 18695618
methyl (E)-2,3,4,5-tetramethyl-5-piperidin-1-ylhex-2-enoate
CID 20714220
methyl (E)-2,3,4-trimethyl-4-piperidin-1-ylpent-2-enoate
CID 20714222
ethyl (E)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enoate
CID 23062586
Ethyl 2-(1,3,5-trimethylpiperidin-4-ylidene)acetate
CID 23565263
(1-Tert-butyl-piperidin-4-ylidene)-acetic acid ethyl ester
CID 57733375

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(1-tert-butylpiperidin-4-yl)-2-methylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-(1-tert-butylpiperidin-4-yl)-2-methylprop-2-enoate (CID 175905218) is ethyl (Z)-3-(1-tert-butylpiperidin-4-yl)-2-methylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(1-tert-butylpiperidin-4-yl)-2-methylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(1-tert-butylpiperidin-4-yl)-2-methylprop-2-enoate is CCOC(=O)/C(C)=C\C1CCN(C(C)(C)C)CC1.
What is the InChIKey of ethyl (Z)-3-(1-tert-butylpiperidin-4-yl)-2-methylprop-2-enoate?
The InChIKey is RVBDOHKVPSSBIB-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H27NO2/c1-6-18-14(17)12(2)11-13-7-9-16(10-8-13)15(3,4)5/h11,13H,6-10H2,1-5H3/b12-11-.
What are the key properties of ethyl (Z)-3-(1-tert-butylpiperidin-4-yl)-2-methylprop-2-enoate?
ethyl (Z)-3-(1-tert-butylpiperidin-4-yl)-2-methylprop-2-enoate has a molecular weight of 253.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(1-tert-butylpiperidin-4-yl)-2-methylprop-2-enoate is sourced from PubChem (CID 175905218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).