tert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate

C15H31N3O2 — CID 107246993

IUPACtert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate
SMILESCC(CCNCC1CCNCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H31N3O2/c1-12(18-14(19)20-15(2,3)4)5-8-17-11-13-6-9-16-10-7-13/h12-13,16-17H,5-11H2,1-4H3,(H,18,19)
InChIKeyDLOOVDBWBLDDPG-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.88
Rot. Bonds6

About tert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate

tert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate (PubChem CID 107246993) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate
PubChem CID107246993
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Nametert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate
SMILESCC(CCNCC1CCNCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H31N3O2/c1-12(18-14(19)20-15(2,3)4)5-8-17-11-13-6-9-16-10-7-13/h12-13,16-17H,5-11H2,1-4H3,(H,18,19)
InChIKeyDLOOVDBWBLDDPG-UHFFFAOYSA-N
XLogP1.88
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-[(5-methyloxolan-2-yl)methylamino]butan-2-yl]carbamate
CID 107247044
tert-butyl N-[4-(azetidin-3-ylamino)butan-2-yl]carbamate
CID 107247078
tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate
CID 163448402
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]propyl]carbamate
CID 130174309
tert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
CID 107245065
tert-butyl N-[[5-(2-methylpropyl)azepan-4-yl]methyl]carbamate
CID 84813195
butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate
CID 19020689
tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
CID 107245368
N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 142367999
tert-butyl N-(4-oxo-4-piperazin-1-ylbutan-2-yl)carbamate
CID 70213372
tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate
CID 107246964
tert-butyl N-cyclopropyl-N-[3-(piperidin-4-ylmethylamino)propyl]carbamate
CID 107242902

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate (CID 107246993) is tert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate is CC(CCNCC1CCNCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate?
The InChIKey is DLOOVDBWBLDDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-12(18-14(19)20-15(2,3)4)5-8-17-11-13-6-9-16-10-7-13/h12-13,16-17H,5-11H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate?
tert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate has a molecular weight of 285.43 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate is sourced from PubChem (CID 107246993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).