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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Related Compounds

1-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-4-phenylpiperazine
CID 10225976
5-[(4-phenylpiperazin-1-yl)methyl]-N,N-bis(trimethylsilyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 615256
(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane
CID 14271784
4-[4-[(4,4-dimethyloxetan-2-yl)methyl]piperazin-1-yl]aniline
CID 142395466
7-hydroxy-7-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-3,6-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidin-5-one
CID 10871658
1-[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]piperazine
CID 171525068
(4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
CID 57225291
1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741
3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine
CID 103058461
2,2-dimethyl-4-[2-(4-phenylphenyl)ethyl]-1,3-dioxolane
CID 177308908
1-(1,4-dioxan-2-ylmethyl)-4-(3-methylphenyl)piperazine
CID 171691223
1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]azetidin-3-ol
CID 63282356

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).