ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate

C17H34N2O2 — CID 43771292

IUPACethyl 4-(7-methyloctylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCCCCCC(C)C)CC1
InChIInChI=1S/C17H34N2O2/c1-4-21-17(20)19-13-10-16(11-14-19)18-12-8-6-5-7-9-15(2)3/h15-16,18H,4-14H2,1-3H3
InChIKeyMDYMSMQZTGGHMK-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.80
Rot. Bonds9

About ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate

ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate (PubChem CID 43771292) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(7-methyloctylamino)piperidine-1-carboxylate
PubChem CID43771292
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nameethyl 4-(7-methyloctylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCCCCCC(C)C)CC1
InChIInChI=1S/C17H34N2O2/c1-4-21-17(20)19-13-10-16(11-14-19)18-12-8-6-5-7-9-15(2)3/h15-16,18H,4-14H2,1-3H3
InChIKeyMDYMSMQZTGGHMK-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[2-(3-methylbutoxy)ethylamino]piperidine-1-carboxylate
CID 61483914
tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate
CID 61044256
tert-butyl 3-(7-methyloctylamino)pyrrolidine-1-carboxylate
CID 103820828
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43093103
ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43226799
ethyl 4-[(4-hydroxy-2-methylbutyl)amino]piperidine-1-carboxylate
CID 66089911
ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate
CID 115690872
ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43312132
ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate
CID 106451480
ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
CID 28586107
ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
CID 43768044

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate (CID 43771292) is ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCCCCCC(C)C)CC1.
What is the InChIKey of ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate?
The InChIKey is MDYMSMQZTGGHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-4-21-17(20)19-13-10-16(11-14-19)18-12-8-6-5-7-9-15(2)3/h15-16,18H,4-14H2,1-3H3.
What are the key properties of ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate?
ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate has a molecular weight of 298.47 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate is sourced from PubChem (CID 43771292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).