tert-butyl 4-[cyclopropylmethyl(2-methoxyethyl)amino]piperidine-1-carboxylate

C17H32N2O3 — CID 57494003

IUPACtert-butyl 4-[cyclopropylmethyl(2-methoxyethyl)amino]piperidine-1-carboxylate
SMILESCOCCN(CC1CC1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)18-9-7-15(8-10-18)19(11-12-21-4)13-14-5-6-14/h14-15H,5-13H2,1-4H3
InChIKeyCOSNXNXVRPEJCB-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.74
Rot. Bonds6

About tert-butyl 4-[cyclopropylmethyl(2-methoxyethyl)amino]piperidine-1-carboxylate

tert-butyl 4-[cyclopropylmethyl(2-methoxyethyl)amino]piperidine-1-carboxylate (PubChem CID 57494003) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl 4-[cyclopropylmethyl(2-methoxyethyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[cyclopropylmethyl(2-methoxyethyl)amino]piperidine-1-carboxylate
PubChem CID57494003
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl 4-[cyclopropylmethyl(2-methoxyethyl)amino]piperidine-1-carboxylate
SMILESCOCCN(CC1CC1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)18-9-7-15(8-10-18)19(11-12-21-4)13-14-5-6-14/h14-15H,5-13H2,1-4H3
InChIKeyCOSNXNXVRPEJCB-UHFFFAOYSA-N
XLogP2.74
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[cyclopropylmethyl(2-methoxyethyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[cyclopropylmethyl(2-methoxyethyl)amino]piperidine-1-carboxylate (CID 57494003) is tert-butyl 4-[cyclopropylmethyl(2-methoxyethyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[cyclopropylmethyl(2-methoxyethyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[cyclopropylmethyl(2-methoxyethyl)amino]piperidine-1-carboxylate is COCCN(CC1CC1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[cyclopropylmethyl(2-methoxyethyl)amino]piperidine-1-carboxylate?
The InChIKey is COSNXNXVRPEJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)18-9-7-15(8-10-18)19(11-12-21-4)13-14-5-6-14/h14-15H,5-13H2,1-4H3.
What are the key properties of tert-butyl 4-[cyclopropylmethyl(2-methoxyethyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[cyclopropylmethyl(2-methoxyethyl)amino]piperidine-1-carboxylate has a molecular weight of 312.45 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[cyclopropylmethyl(2-methoxyethyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 57494003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).