4-(1-aminoethyl)-N-tert-butylpiperidine-1-carboxamide

C12H25N3O — CID 63596385

IUPAC4-(1-aminoethyl)-N-tert-butylpiperidine-1-carboxamide
SMILESCC(N)C1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-9(13)10-5-7-15(8-6-10)11(16)14-12(2,3)4/h9-10H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyDKMICIHPBUAYLZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.55
Rot. Bonds1

About 4-(1-aminoethyl)-N-tert-butylpiperidine-1-carboxamide

4-(1-aminoethyl)-N-tert-butylpiperidine-1-carboxamide (PubChem CID 63596385) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-tert-butylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-tert-butylpiperidine-1-carboxamide
PubChem CID63596385
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-(1-aminoethyl)-N-tert-butylpiperidine-1-carboxamide
SMILESCC(N)C1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-9(13)10-5-7-15(8-6-10)11(16)14-12(2,3)4/h9-10H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyDKMICIHPBUAYLZ-UHFFFAOYSA-N
XLogP1.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-propan-2-ylpyrrolidine-1-carboxamide
CID 115695172
4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
CID 137372946
N-tert-butyl-4-(ethylamino)piperidine-1-carboxamide
CID 60819470
4-acetamido-N-tert-butylpiperidine-1-carboxamide
CID 110748466
1-[4-(1-aminoethyl)piperidin-1-yl]-2-methoxypropan-1-one
CID 115737084
1-[4-(1-aminoethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112603383
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide
CID 119517350
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 112630526
1-[4-(1-aminoethyl)piperidin-1-yl]-3,5,5-trimethylhexan-1-one
CID 63595847
1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride
CID 119520948
N-tert-butyl-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide
CID 110822420

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-tert-butylpiperidine-1-carboxamide?
The IUPAC name of 4-(1-aminoethyl)-N-tert-butylpiperidine-1-carboxamide (CID 63596385) is 4-(1-aminoethyl)-N-tert-butylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-tert-butylpiperidine-1-carboxamide?
The canonical SMILES for 4-(1-aminoethyl)-N-tert-butylpiperidine-1-carboxamide is CC(N)C1CCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of 4-(1-aminoethyl)-N-tert-butylpiperidine-1-carboxamide?
The InChIKey is DKMICIHPBUAYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(13)10-5-7-15(8-6-10)11(16)14-12(2,3)4/h9-10H,5-8,13H2,1-4H3,(H,14,16).
What are the key properties of 4-(1-aminoethyl)-N-tert-butylpiperidine-1-carboxamide?
4-(1-aminoethyl)-N-tert-butylpiperidine-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-tert-butylpiperidine-1-carboxamide is sourced from PubChem (CID 63596385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).