2-amino-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol

C16H23N3O3 — CID 74419572

IUPAC2-amino-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESNC1C2COC(O2)C(N2CCN(c3ccccc3)CC2)C1O
InChIInChI=1S/C16H23N3O3/c17-13-12-10-21-16(22-12)14(15(13)20)19-8-6-18(7-9-19)11-4-2-1-3-5-11/h1-5,12-16,20H,6-10,17H2
InChIKeyGHZRPZABSIWZTC-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.38
Rot. Bonds2

About 2-amino-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol

2-amino-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol (PubChem CID 74419572) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-amino-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name2-amino-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
PubChem CID74419572
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-amino-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESNC1C2COC(O2)C(N2CCN(c3ccccc3)CC2)C1O
InChIInChI=1S/C16H23N3O3/c17-13-12-10-21-16(22-12)14(15(13)20)19-8-6-18(7-9-19)11-4-2-1-3-5-11/h1-5,12-16,20H,6-10,17H2
InChIKeyGHZRPZABSIWZTC-UHFFFAOYSA-N
XLogP-0.38
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,2S,3S,4R,5R)-2-amino-4-pyrrolidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 25338247
[(1S,2S,3S,4R,5R)-3-hydroxy-2-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-yl] 4-methylbenzenesulfonate
CID 22216552
(1R,2S,3S,4S,5R)-4-(4-phenylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methylamino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 163051413
(1S,2S,3S,4R,5R)-2-amino-4-phenoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 25314319
3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
CID 4867520
(1S,2S,3S,4R,5R)-2-(benzylamino)-4-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 25338162
[(1R,2R,3R,4S)-2,4-dihydroxy-3-(4-phenylpiperazin-1-yl)cyclopentyl]urea
CID 155902271
(1S,2S,3S,4R,5R)-2-[(2-methoxyphenyl)methylamino]-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 28960448
1-(2-adamantyl)-4-phenylpiperazine
CID 1378368
(2S,3S,5R)-5-[(dibenzylamino)methyl]-2-(hydroxymethyl)-4-(4-phenylpiperazin-1-yl)oxolan-3-ol
CID 45361257
5-[(benzylamino)methyl]-2-(hydroxymethyl)-4-(4-phenylpiperazin-1-yl)oxolan-3-ol
CID 163121835
(1R,2S,3R,5R)-3-amino-2-(4-phenylpiperazin-1-yl)-5-pyridin-3-yloxycyclopentan-1-ol
CID 110157304

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 2-amino-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol (CID 74419572) is 2-amino-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 2-amino-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 2-amino-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol is NC1C2COC(O2)C(N2CCN(c3ccccc3)CC2)C1O.
What is the InChIKey of 2-amino-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The InChIKey is GHZRPZABSIWZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c17-13-12-10-21-16(22-12)14(15(13)20)19-8-6-18(7-9-19)11-4-2-1-3-5-11/h1-5,12-16,20H,6-10,17H2.
What are the key properties of 2-amino-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol?
2-amino-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol has a molecular weight of 305.38 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 74419572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).