tert-butyl 4-[[3-(dimethylamino)-1-pyrrolidin-3-ylpropyl]amino]piperidine-1-carboxylate

C19H38N4O2 — CID 66924260

IUPACtert-butyl 4-[[3-(dimethylamino)-1-pyrrolidin-3-ylpropyl]amino]piperidine-1-carboxylate
SMILESCN(C)CCC(NC1CCN(C(=O)OC(C)(C)C)CC1)C1CCNC1
InChIInChI=1S/C19H38N4O2/c1-19(2,3)25-18(24)23-12-7-16(8-13-23)21-17(9-11-22(4)5)15-6-10-20-14-15/h15-17,20-21H,6-14H2,1-5H3
InChIKeyQBKGLJMXWNQAMF-UHFFFAOYSA-N
MW354.54 g/mol
LogP1.91
Rot. Bonds6

About tert-butyl 4-[[3-(dimethylamino)-1-pyrrolidin-3-ylpropyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[3-(dimethylamino)-1-pyrrolidin-3-ylpropyl]amino]piperidine-1-carboxylate (PubChem CID 66924260) has the molecular formula C19H38N4O2 and a molecular weight of 354.54 g/mol. Its IUPAC name is tert-butyl 4-[[3-(dimethylamino)-1-pyrrolidin-3-ylpropyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[3-(dimethylamino)-1-pyrrolidin-3-ylpropyl]amino]piperidine-1-carboxylate
PubChem CID66924260
Molecular FormulaC19H38N4O2
Molecular Weight354.54 g/mol
Exact Mass354.30
IUPAC Nametert-butyl 4-[[3-(dimethylamino)-1-pyrrolidin-3-ylpropyl]amino]piperidine-1-carboxylate
SMILESCN(C)CCC(NC1CCN(C(=O)OC(C)(C)C)CC1)C1CCNC1
InChIInChI=1S/C19H38N4O2/c1-19(2,3)25-18(24)23-12-7-16(8-13-23)21-17(9-11-22(4)5)15-6-10-20-14-15/h15-17,20-21H,6-14H2,1-5H3
InChIKeyQBKGLJMXWNQAMF-UHFFFAOYSA-N
XLogP1.91
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Boc-octahydropyrrolo(3,4-b)pyridine
CID 22562202
Tert-butyl 3-(piperidin-4-yl)pyrrolidine-1-carboxylate
CID 16228837
tert-Butyl (1R,5S)-6-amino-3-azabicyclo(3.1.0)hexane-3-carboxylate
CID 28820283
(4aS,7aS)-tert-Butyl octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate
CID 1519435
tert-Butyl 5-amino-2-azabicyclo(2.2.1)heptane-2-carboxylate
CID 15434806
Tert-butyl 2-(piperidin-3-yl)pyrrolidine-1-carboxylate
CID 16228807
1,1-Dimethylethyl 2-(4-piperidinyl)-1-pyrrolidinecarboxylate
CID 16228838
Tert-butyl 4-[3-(methylamino)propyl]piperidine-1-carboxylate
CID 18374734
Tert-butyl 2,6-diazaspiro[4.5]decane-6-carboxylate
CID 22291243
tert-Butyl 2,7-diazaspiro(4.5)decane-7-carboxylate
CID 23282891
tert-Butyl 1,8-diazaspiro(4.5)decane-8-carboxylate
CID 25212666
1-Pyrrolidinecarboxylic acid, 2-(4-piperidinyl)-, 1,1-dimethylethyl ester, (2S)-
CID 28818856

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[3-(dimethylamino)-1-pyrrolidin-3-ylpropyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[3-(dimethylamino)-1-pyrrolidin-3-ylpropyl]amino]piperidine-1-carboxylate (CID 66924260) is tert-butyl 4-[[3-(dimethylamino)-1-pyrrolidin-3-ylpropyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[3-(dimethylamino)-1-pyrrolidin-3-ylpropyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[3-(dimethylamino)-1-pyrrolidin-3-ylpropyl]amino]piperidine-1-carboxylate is CN(C)CCC(NC1CCN(C(=O)OC(C)(C)C)CC1)C1CCNC1.
What is the InChIKey of tert-butyl 4-[[3-(dimethylamino)-1-pyrrolidin-3-ylpropyl]amino]piperidine-1-carboxylate?
The InChIKey is QBKGLJMXWNQAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O2/c1-19(2,3)25-18(24)23-12-7-16(8-13-23)21-17(9-11-22(4)5)15-6-10-20-14-15/h15-17,20-21H,6-14H2,1-5H3.
What are the key properties of tert-butyl 4-[[3-(dimethylamino)-1-pyrrolidin-3-ylpropyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[3-(dimethylamino)-1-pyrrolidin-3-ylpropyl]amino]piperidine-1-carboxylate has a molecular weight of 354.54 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[3-(dimethylamino)-1-pyrrolidin-3-ylpropyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 66924260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).