1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine;1,3-dioxolan-2-ylmethanamine

C20H33N3O4 — CID 158637276

IUPAC1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine;1,3-dioxolan-2-ylmethanamine
SMILESNCC1OCCO1.c1ccc(CN2CCC(NCC3OCCO3)CC2)cc1
InChIInChI=1S/C16H24N2O2.C4H9NO2/c1-2-4-14(5-3-1)13-18-8-6-15(7-9-18)17-12-16-19-10-11-20-16;5-3-4-6-1-2-7-4/h1-5,15-17H,6-13H2;4H,1-3,5H2
InChIKeyHZXSZKUYGIFGCA-UHFFFAOYSA-N
MW379.50 g/mol
LogP0.93
Rot. Bonds6

About 1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine;1,3-dioxolan-2-ylmethanamine

1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine;1,3-dioxolan-2-ylmethanamine (PubChem CID 158637276) has the molecular formula C20H33N3O4 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine;1,3-dioxolan-2-ylmethanamine.

Molecular Properties

Compound Name1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine;1,3-dioxolan-2-ylmethanamine
PubChem CID158637276
Molecular FormulaC20H33N3O4
Molecular Weight379.50 g/mol
Exact Mass379.25
IUPAC Name1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine;1,3-dioxolan-2-ylmethanamine
SMILESNCC1OCCO1.c1ccc(CN2CCC(NCC3OCCO3)CC2)cc1
InChIInChI=1S/C16H24N2O2.C4H9NO2/c1-2-4-14(5-3-1)13-18-8-6-15(7-9-18)17-12-16-19-10-11-20-16;5-3-4-6-1-2-7-4/h1-5,15-17H,6-13H2;4H,1-3,5H2
InChIKeyHZXSZKUYGIFGCA-UHFFFAOYSA-N
XLogP0.93
TPSA78.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine;1,3-dioxolan-2-ylmethanamine with MolForge

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Related Compounds

1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine
CID 69192482
9-[[(1-benzylpiperidin-4-yl)amino]methyl]-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol
CID 59343190
1-benzyl-N-butylpiperidin-4-amine
CID 11253643
1-benzyl-N-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine
CID 4846949
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-4-(1,3-dioxolan-2-yl)piperidine
CID 72714001
N-[(1-benzylpyrrolidin-3-yl)methyl]oxan-4-amine
CID 50961692
1-benzyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine
CID 112721976
2-[(1-benzylpiperidin-4-yl)amino]-1-cyclopropylethanol
CID 63294565
1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110885328
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950
1-benzyl-N-(4-methylpentyl)piperidin-4-amine
CID 60744361

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine;1,3-dioxolan-2-ylmethanamine?
The IUPAC name of 1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine;1,3-dioxolan-2-ylmethanamine (CID 158637276) is 1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine;1,3-dioxolan-2-ylmethanamine.
What is the SMILES notation for 1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine;1,3-dioxolan-2-ylmethanamine?
The canonical SMILES for 1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine;1,3-dioxolan-2-ylmethanamine is NCC1OCCO1.c1ccc(CN2CCC(NCC3OCCO3)CC2)cc1.
What is the InChIKey of 1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine;1,3-dioxolan-2-ylmethanamine?
The InChIKey is HZXSZKUYGIFGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.C4H9NO2/c1-2-4-14(5-3-1)13-18-8-6-15(7-9-18)17-12-16-19-10-11-20-16;5-3-4-6-1-2-7-4/h1-5,15-17H,6-13H2;4H,1-3,5H2.
What are the key properties of 1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine;1,3-dioxolan-2-ylmethanamine?
1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine;1,3-dioxolan-2-ylmethanamine has a molecular weight of 379.50 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine;1,3-dioxolan-2-ylmethanamine is sourced from PubChem (CID 158637276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).