tert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate

C14H29N3O2 — CID 107245065

IUPACtert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
SMILESCN(CCNCC1CCNCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-14(2,3)19-13(18)17(4)10-9-16-11-12-5-7-15-8-6-12/h12,15-16H,5-11H2,1-4H3
InChIKeyAGOSJCCKFFXIQL-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.44
Rot. Bonds5

About tert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate

tert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate (PubChem CID 107245065) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
PubChem CID107245065
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Nametert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
SMILESCN(CCNCC1CCNCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-14(2,3)19-13(18)17(4)10-9-16-11-12-5-7-15-8-6-12/h12,15-16H,5-11H2,1-4H3
InChIKeyAGOSJCCKFFXIQL-UHFFFAOYSA-N
XLogP1.44
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
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-[2-(cyclobutylmethylamino)ethyl]-N-methylcarbamate
CID 107245079
tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
CID 107245368
tert-butyl N-cyclopropyl-N-[3-(piperidin-4-ylmethylamino)propyl]carbamate
CID 107242902
tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate
CID 53419825
tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate
CID 107245215
tert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate
CID 176578445
tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
CID 107444454
tert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate
CID 89066320
tert-butyl N-[2-(dicyclopropylmethylamino)ethyl]-N-methylcarbamate
CID 103780550
tert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate
CID 107246993
tert-butyl N-ethyl-N-[2-(piperidin-3-ylmethylamino)ethyl]carbamate
CID 107245281
tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103698952

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate (CID 107245065) is tert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate is CN(CCNCC1CCNCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate?
The InChIKey is AGOSJCCKFFXIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-14(2,3)19-13(18)17(4)10-9-16-11-12-5-7-15-8-6-12/h12,15-16H,5-11H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate?
tert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate has a molecular weight of 271.40 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate is sourced from PubChem (CID 107245065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).