tert-butyl N-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-2-yl]carbamate

C17H35N3O2 — CID 103901731

IUPACtert-butyl N-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-2-yl]carbamate
SMILESCC(CCNC1CC(C)N(C)CC1C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H35N3O2/c1-12-11-20(7)14(3)10-15(12)18-9-8-13(2)19-16(21)22-17(4,5)6/h12-15,18H,8-11H2,1-7H3,(H,19,21)
InChIKeyPKNLMTQTHUPQPB-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.61
Rot. Bonds5

About tert-butyl N-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-2-yl]carbamate

tert-butyl N-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-2-yl]carbamate (PubChem CID 103901731) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is tert-butyl N-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-2-yl]carbamate
PubChem CID103901731
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Nametert-butyl N-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-2-yl]carbamate
SMILESCC(CCNC1CC(C)N(C)CC1C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H35N3O2/c1-12-11-20(7)14(3)10-15(12)18-9-8-13(2)19-16(21)22-17(4,5)6/h12-15,18H,8-11H2,1-7H3,(H,19,21)
InChIKeyPKNLMTQTHUPQPB-UHFFFAOYSA-N
XLogP2.61
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclopropyl]carbamate
CID 107237764
tert-butyl N-[3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butyl]carbamate
CID 107254053
tert-butyl N-[4-(azetidin-3-ylamino)butan-2-yl]carbamate
CID 107247078
tert-butyl N-cyclopropyl-N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]ethyl]carbamate
CID 103780871
2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol
CID 93258534
tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate
CID 107246964
tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate
CID 107237740
(2S)-1-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906573
(2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol
CID 124526610
2-[(1,2,5-trimethylpiperidin-4-yl)amino]acetamide
CID 43665297
N-(2-methoxy-2-methylpropyl)-1,2,5-trimethylpiperidin-4-amine
CID 115728653
tert-butyl N-[4-[(1-propan-2-ylazepan-4-yl)amino]butan-2-yl]carbamate
CID 107247033

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-2-yl]carbamate (CID 103901731) is tert-butyl N-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-2-yl]carbamate is CC(CCNC1CC(C)N(C)CC1C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-2-yl]carbamate?
The InChIKey is PKNLMTQTHUPQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-12-11-20(7)14(3)10-15(12)18-9-8-13(2)19-16(21)22-17(4,5)6/h12-15,18H,8-11H2,1-7H3,(H,19,21).
What are the key properties of tert-butyl N-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-2-yl]carbamate?
tert-butyl N-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-2-yl]carbamate has a molecular weight of 313.49 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 103901731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).