ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate

C14H26N2O2 — CID 115690872

IUPACethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(C)C2CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-3-18-14(17)16-8-6-13(7-9-16)15-10-11(2)12-4-5-12/h11-13,15H,3-10H2,1-2H3
InChIKeySMUOLAGWNYSNQD-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.24
Rot. Bonds5

About ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate

ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate (PubChem CID 115690872) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate
PubChem CID115690872
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nameethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(C)C2CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-3-18-14(17)16-8-6-13(7-9-16)15-10-11(2)12-4-5-12/h11-13,15H,3-10H2,1-2H3
InChIKeySMUOLAGWNYSNQD-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43312132
ethyl 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]piperidine-1-carboxylate
CID 60632844
ethyl 4-[(4-hydroxy-2-methylbutyl)amino]piperidine-1-carboxylate
CID 66089911
ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate
CID 43196751
ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
CID 28586107
ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate
CID 81390651
ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate
CID 43771292
ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43226799
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43093103
ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 28586131
ethyl 4-(2-bromopropanoylamino)piperidine-1-carboxylate
CID 103693309

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate (CID 115690872) is ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NCC(C)C2CC2)CC1.
What is the InChIKey of ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate?
The InChIKey is SMUOLAGWNYSNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-18-14(17)16-8-6-13(7-9-16)15-10-11(2)12-4-5-12/h11-13,15H,3-10H2,1-2H3.
What are the key properties of ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate?
ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate is sourced from PubChem (CID 115690872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).