tert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate

C18H28N2O3 — CID 146249261

IUPACtert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CO)(NCc2ccccc2)CC1
InChIInChI=1S/C18H28N2O3/c1-17(2,3)23-16(22)20-11-9-18(14-21,10-12-20)19-13-15-7-5-4-6-8-15/h4-8,19,21H,9-14H2,1-3H3
InChIKeyWAUZEYDQTJISQA-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.54
Rot. Bonds4

About tert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate

tert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 146249261) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID146249261
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CO)(NCc2ccccc2)CC1
InChIInChI=1S/C18H28N2O3/c1-17(2,3)23-16(22)20-11-9-18(14-21,10-12-20)19-13-15-7-5-4-6-8-15/h4-8,19,21H,9-14H2,1-3H3
InChIKeyWAUZEYDQTJISQA-UHFFFAOYSA-N
XLogP2.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(benzylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 103082296
tert-butyl 4-benzyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 20664723
tert-butyl 4-benzyl-4-(methanesulfonamido)piperidine-1-carboxylate
CID 20664724
tert-butyl 4-(benzylamino)-4-(1-methyltetrazol-5-yl)piperidine-1-carboxylate
CID 166365699
tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate
CID 135323439
tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate
CID 22730796
1-O-tert-butyl 4-O-methyl 4-benzylpiperidine-1,4-dicarboxylate
CID 20664732
tert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate
CID 170993454
tert-butyl 4-methoxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate
CID 71268626
tert-butyl 4-[(3-hydroxyphenyl)methylamino]-4-methylpiperidine-1-carboxylate
CID 104956392
tert-butyl 4-benzyl-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
CID 143220733
tert-butyl (3S)-3-(methoxymethyl)-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 175984767

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate (CID 146249261) is tert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is WAUZEYDQTJISQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-17(2,3)23-16(22)20-11-9-18(14-21,10-12-20)19-13-15-7-5-4-6-8-15/h4-8,19,21H,9-14H2,1-3H3.
What are the key properties of tert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate?
tert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 320.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 146249261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).