1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-phenylpiperazine

C16H24N2O2 — CID 92974402

IUPAC1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-phenylpiperazine
SMILESCC1(C)OC[C@H](CN2CCN(c3ccccc3)CC2)O1
InChIInChI=1S/C16H24N2O2/c1-16(2)19-13-15(20-16)12-17-8-10-18(11-9-17)14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3/t15-/m0/s1
InChIKeyKYJMJYQEERFVET-HNNXBMFYSA-N
MW276.38 g/mol
LogP1.96
Rot. Bonds3

About 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-phenylpiperazine

1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-phenylpiperazine (PubChem CID 92974402) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-phenylpiperazine
PubChem CID92974402
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-phenylpiperazine
SMILESCC1(C)OC[C@H](CN2CCN(c3ccccc3)CC2)O1
InChIInChI=1S/C16H24N2O2/c1-16(2)19-13-15(20-16)12-17-8-10-18(11-9-17)14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3/t15-/m0/s1
InChIKeyKYJMJYQEERFVET-HNNXBMFYSA-N
XLogP1.96
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-phenylpiperazine?
The IUPAC name of 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-phenylpiperazine (CID 92974402) is 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-phenylpiperazine is CC1(C)OC[C@H](CN2CCN(c3ccccc3)CC2)O1.
What is the InChIKey of 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-phenylpiperazine?
The InChIKey is KYJMJYQEERFVET-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2)19-13-15(20-16)12-17-8-10-18(11-9-17)14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-phenylpiperazine?
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-phenylpiperazine has a molecular weight of 276.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-phenylpiperazine is sourced from PubChem (CID 92974402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).