tert-butyl 4-[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]piperidine-1-carboxylate

C19H38N4O2 — CID 113223766

IUPACtert-butyl 4-[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]piperidine-1-carboxylate
SMILESCN1CCN(C(C)(C)CNC2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H38N4O2/c1-18(2,3)25-17(24)22-9-7-16(8-10-22)20-15-19(4,5)23-13-11-21(6)12-14-23/h16,20H,7-15H2,1-6H3
InChIKeyFDJUMZWEXASWBU-UHFFFAOYSA-N
MW354.54 g/mol
LogP2.00
Rot. Bonds4

About tert-butyl 4-[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]piperidine-1-carboxylate (PubChem CID 113223766) has the molecular formula C19H38N4O2 and a molecular weight of 354.54 g/mol. Its IUPAC name is tert-butyl 4-[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]piperidine-1-carboxylate
PubChem CID113223766
Molecular FormulaC19H38N4O2
Molecular Weight354.54 g/mol
Exact Mass354.30
IUPAC Nametert-butyl 4-[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]piperidine-1-carboxylate
SMILESCN1CCN(C(C)(C)CNC2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H38N4O2/c1-18(2,3)25-17(24)22-9-7-16(8-10-22)20-15-19(4,5)23-13-11-21(6)12-14-23/h16,20H,7-15H2,1-6H3
InChIKeyFDJUMZWEXASWBU-UHFFFAOYSA-N
XLogP2.00
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate;hydrochloride
CID 56965527
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CID 43652189
tert-butyl 4-(prop-2-ynylamino)piperidine-1-carboxylate
CID 43652133
tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43652168
tert-butyl 4-[(3-iodo-3-oxopropyl)amino]piperidine-1-carboxylate
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CID 84710216
tert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate
CID 102696916
tert-butyl 4-[(2,2-dimethylcyclopropyl)methylamino]piperidine-1-carboxylate
CID 103729701
tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate
CID 103618127
tert-butyl 4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carboxylate
CID 57420345
tert-butyl 4-(1-methylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 59506078
tert-butyl 4-[(2-cyclopentyl-2-hydroxyethyl)amino]piperidine-1-carboxylate
CID 111755633

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]piperidine-1-carboxylate (CID 113223766) is tert-butyl 4-[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]piperidine-1-carboxylate is CN1CCN(C(C)(C)CNC2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]piperidine-1-carboxylate?
The InChIKey is FDJUMZWEXASWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O2/c1-18(2,3)25-17(24)22-9-7-16(8-10-22)20-15-19(4,5)23-13-11-21(6)12-14-23/h16,20H,7-15H2,1-6H3.
What are the key properties of tert-butyl 4-[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]piperidine-1-carboxylate has a molecular weight of 354.54 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 113223766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).