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

C16H24N2O2 — CID 69192482

IUPAC1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine
SMILESc1ccc(CN2CCC(NCC3OCCO3)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-2-4-14(5-3-1)13-18-8-6-15(7-9-18)17-12-16-19-10-11-20-16/h1-5,15-17H,6-13H2
InChIKeyDVPRUHPRGJSOIG-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.61
Rot. Bonds5

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

1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine (PubChem CID 69192482) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine
PubChem CID69192482
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine
SMILESc1ccc(CN2CCC(NCC3OCCO3)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-2-4-14(5-3-1)13-18-8-6-15(7-9-18)17-12-16-19-10-11-20-16/h1-5,15-17H,6-13H2
InChIKeyDVPRUHPRGJSOIG-UHFFFAOYSA-N
XLogP1.61
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine;1,3-dioxolan-2-ylmethanamine
CID 158637276
9-[[(1-benzylpiperidin-4-yl)amino]methyl]-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol
CID 59343190
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
1-benzyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine
CID 112721976
N-[(1-benzylpyrrolidin-3-yl)methyl]oxan-4-amine
CID 50961692
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-butylpiperidin-4-amine
CID 11253643
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950
[(1-benzylpiperidin-4-yl)amino]carbamic acid
CID 68925695

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine (CID 69192482) is 1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine is c1ccc(CN2CCC(NCC3OCCO3)CC2)cc1.
What is the InChIKey of 1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine?
The InChIKey is DVPRUHPRGJSOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-4-14(5-3-1)13-18-8-6-15(7-9-18)17-12-16-19-10-11-20-16/h1-5,15-17H,6-13H2.
What are the key properties of 1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine?
1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine has a molecular weight of 276.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 69192482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).