ethyl 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxylate

C14H27N3O2 — CID 103749538

IUPACethyl 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC2CCCN2C)CC1
InChIInChI=1S/C14H27N3O2/c1-3-19-14(18)17-9-6-12(7-10-17)15-11-13-5-4-8-16(13)2/h12-13,15H,3-11H2,1-2H3
InChIKeyOASQIKXHXVDWNF-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.29
Rot. Bonds4

About ethyl 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxylate

ethyl 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxylate (PubChem CID 103749538) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is ethyl 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxylate
PubChem CID103749538
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Nameethyl 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC2CCCN2C)CC1
InChIInChI=1S/C14H27N3O2/c1-3-19-14(18)17-9-6-12(7-10-17)15-11-13-5-4-8-16(13)2/h12-13,15H,3-11H2,1-2H3
InChIKeyOASQIKXHXVDWNF-UHFFFAOYSA-N
XLogP1.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxamide
CID 103778909
2-methoxy-1-[4-[(1-methylpiperidin-2-yl)methylamino]piperidin-1-yl]ethanone
CID 62659613
4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine
CID 104530001
4-[(1-methylpyrrolidin-2-yl)methylamino]cyclohexan-1-ol
CID 58858777
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
CID 28586107
ethyl 4-[(3,3-dimethoxycyclobutyl)methylamino]piperidine-1-carboxylate
CID 138015528
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-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
CID 43768044
ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate
CID 43196751

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxylate (CID 103749538) is ethyl 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCC2CCCN2C)CC1.
What is the InChIKey of ethyl 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxylate?
The InChIKey is OASQIKXHXVDWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-19-14(18)17-9-6-12(7-10-17)15-11-13-5-4-8-16(13)2/h12-13,15H,3-11H2,1-2H3.
What are the key properties of ethyl 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxylate?
ethyl 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxylate has a molecular weight of 269.39 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 103749538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).